Ketcher 07241511142D 1   1.00000     0.00000     0

 22 23  0     0  0            999 V2000
   21.8984   -8.6062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.8984   -9.6093    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.7672  -10.1107    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.6358   -9.6093    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.6358   -8.6062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.7672   -8.1047    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   24.5045  -10.1107    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.3731   -9.6093    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.3731   -8.6062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   24.5045   -8.1047    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   24.5045   -7.1017    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.6344   -6.5994    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   22.7771   -7.0944    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.6344   -5.5973    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.9270   -6.6034    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.0732   -7.0964    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.2211   -6.6046    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.3523   -6.1030    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.4838   -5.6014    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.6150   -5.0999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.4838   -4.5984    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.6151   -6.1029    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0     0  0
  2  3  1  0     0  0
  3  4  2  0     0  0
  4  5  1  0     0  0
  5  6  2  0     0  0
  1  6  1  0     0  0
  4  7  1  0     0  0
  7  8  2  0     0  0
  8  9  1  0     0  0
  9 10  2  0     0  0
  5 10  1  0     0  0
 10 11  1  0     0  0
 11 12  1  0     0  0
 12 13  1  0     0  0
 12 14  1  0     0  0
 13 15  1  0     0  0
 15 16  2  0     0  0
 16 17  1  0     0  0
 17 18  3  0     0  0
 18 19  1  0     0  0
 19 20  1  0     0  0
 19 21  1  0     0  0
 19 22  1  0     0  0
M  CHG  1  12   1
M  END
> <ID>
CHEBI:77615

> <NAME>
terbinafine(1+)

> <DEFINITION>
An organic cation that is the conjugate acid of terbinafine, obtained by protonation of the amino group; major species at pH 7.3.

> <STAR>
3

> <SYNONYM>
terbinafine cation

> <IUPAC_NAME>
(2E)-N,6,6-trimethyl-N-(1-naphthylmethyl)hept-2-en-4-yn-1-aminium

> <FORMULA>
C21H26N

> <MASS>
292.43730

> <MONOISOTOPIC_MASS>
292.20598

> <CHARGE>
1

> <SMILES>
C[NH+](C\C=C\C#CC(C)(C)C)Cc1cccc2ccccc12

> <INCHI>
InChI=1S/C21H25N/c1-21(2,3)15-8-5-9-16-22(4)17-19-13-10-12-18-11-6-7-14-20(18)19/h5-7,9-14H,16-17H2,1-4H3/p+1/b9-5+

> <INCHIKEY>
DOMXUEMWDBAQBQ-WEVVVXLNSA-O

$$$$