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EY2 : Summary

Code

EY2

One-letter code

X

Molecule name

(7-bromanyl-9-ethyl-carbazol-3-yl)methyl-methyl-azanium

Systematic names

ProgramVersionName
OpenEye OEToolkits 2.0.6 (7-bromanyl-9-ethyl-carbazol-3-yl)methyl-methyl-azanium

Formula

C16 H18 Br N2

Formal charge

1

Molecular weight

318.232 Da

SMILES

TypeProgramVersionDescriptor
SMILES CACTVS 3.385 CCn1c2ccc(C[NH2+]C)cc2c3ccc(Br)cc13
SMILES OpenEye OEToolkits 2.0.6 CCn1c2ccc(cc2c3c1cc(cc3)Br)C[NH2+]C
Canonical SMILES CACTVS 3.385 CCn1c2ccc(C[NH2+]C)cc2c3ccc(Br)cc13
Canonical SMILES OpenEye OEToolkits 2.0.6 CCn1c2ccc(cc2c3c1cc(cc3)Br)C[NH2+]C

IUPAC InChI

InChI=1S/C16H17BrN2/c1-3-19-15-7-4-11(10-18-2)8-14(15)13-6-5-12(17)9-16(13)19/h4-9,18H,3,10H2,1-2H3/p+1

IUPAC InChI key

DQOAWXHGKIOTNR-UHFFFAOYSA-O
EY2

wwPDB Information

Atom count

37 (19 without Hydrogen)

Polymer type

Bound ligand

Type description

NON-POLYMER

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

2018-05-03

Last modified at

2019-05-17

Status

Released

Obsoleted

Not Assigned