![spacer](http://www.ebi.ac.uk/inc/images/spacer.gif) |
61V : Summary
Code ![](/pdbe/static/images/help.png)
|
61V
|
One-letter code ![](/pdbe/static/images/help.png)
|
X
|
Molecule name ![](/pdbe/static/images/help.png)
|
N-(1-benzylpiperidin-4-yl)-4-iodobenzamide
|
Systematic names ![](/pdbe/static/images/help.png)
|
|
Formula ![](/pdbe/static/images/help.png)
|
C19 H21 I N2 O
|
Formal charge ![](/pdbe/static/images/help.png)
|
0
|
Molecular weight ![](/pdbe/static/images/help.png)
|
420.287 Da
|
SMILES ![](/pdbe/static/images/help.png)
|
Type | Program | Version | Descriptor |
SMILES
|
ACDLabs |
12.01 |
C1C(CCN(C1)Cc2ccccc2)NC(c3ccc(I)cc3)=O |
SMILES
|
CACTVS |
3.385 |
Ic1ccc(cc1)C(=O)NC2CCN(CC2)Cc3ccccc3 |
SMILES
|
OpenEye OEToolkits |
2.0.4 |
c1ccc(cc1)CN2CCC(CC2)NC(=O)c3ccc(cc3)I |
Canonical SMILES
|
CACTVS |
3.385 |
Ic1ccc(cc1)C(=O)NC2CCN(CC2)Cc3ccccc3 |
Canonical SMILES
|
OpenEye OEToolkits |
2.0.4 |
c1ccc(cc1)CN2CCC(CC2)NC(=O)c3ccc(cc3)I |
|
IUPAC InChI ![](/pdbe/static/images/help.png) | InChI=1S/C19H21IN2O/c20-17-8-6-16(7-9-17)19(23)21-18-10-12-22(13-11-18)14-15-4-2-1-3-5-15/h1-9,18H,10-14H2,(H,21,23) |
IUPAC InChI key ![](/pdbe/static/images/help.png) | HELCSESNNDZLFM-UHFFFAOYSA-N |
|
wwPDB Information |
Atom count ![](/pdbe/static/images/help.png)
|
44 (23 without Hydrogen)
|
Polymer type ![](/pdbe/static/images/help.png)
|
Bound ligand
|
Type description ![](/pdbe/static/images/help.png)
|
NON-POLYMER
|
Type code ![](/pdbe/static/images/help.png)
|
HETAIN
|
Is modified ![](/pdbe/static/images/help.png)
|
No
|
Standard parent ![](/pdbe/static/images/help.png)
|
Not Assigned
|
Defined at ![](/pdbe/static/images/help.png)
|
2016-01-14
|
Last modified at ![](/pdbe/static/images/help.png)
|
2016-04-01
|
Status ![](/pdbe/static/images/help.png)
|
Released
|
Obsoleted ![](/pdbe/static/images/help.png)
|
Not Assigned
|
|