4-(azocan-1-ium-1-ylmethyl)-N-phenyl-benzamide

Systemtic Name: 4-(azocan-1-ium-1-ylmethyl)-N-phenyl-benzamide Openeye Name: 4-(azocan-1-ium-1-ylmethyl)-N-phenyl-benzamide CAS Name: 4-(1-azocan-1-iumylmethyl)-N-phenylbenzamide IUPAC Name: 4-(azocan-1-ium-1-ylmethyl)-N-phenylbenzamide Traditional Name: 4-(azocan-1-ium-1-ylmethyl)-N-phenyl-benzamide Formula: C21H27N2O+ MolecularWeight: 323.45188

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCC[NH+](CCC1)CC2=CC=C(C=C2)C(=O)NC3=CC=CC=C3

Isomeric SMILES

C1CCC[NH+](CCC1)CC2=CC=C(C=C2)C(=O)NC3=CC=CC=C3

InChI

InChI=1S/C21H26N2O/c24-21(22-20-9-5-4-6-10-20)19-13-11-18(12-14-19)17-23-15-7-2-1-3-8-16-23/h4-6,9-14H,1-3,7-8,15-17H2,(H,22,24)/p+1