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N-[(2R)-2-(azepan-1-ium-1-yl)-2-(4-methylphenyl)ethyl]benzamide

Systemtic Name:	N-[(2R)-2-(azepan-1-ium-1-yl)-2-(4-methylphenyl)ethyl]benzamide
Openeye Name:	N-[(2R)-2-(azepan-1-ium-1-yl)-2-(p-tolyl)ethyl]benzamide
CAS Name:	N-[(2R)-2-(1-azepan-1-iumyl)-2-(4-methylphenyl)ethyl]benzamide
IUPAC Name:	N-[(2R)-2-(azepan-1-ium-1-yl)-2-(4-methylphenyl)ethyl]benzamide
Traditional Name:	N-[(2R)-2-(azepan-1-ium-1-yl)-2-(p-tolyl)ethyl]benzamide
Formula:	C₂₂H₂₉N₂O+
MolecularWeight:	337.47846

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(CNC(=O)C2=CC=CC=C2)[NH+]3CCCCCC3

Isomeric SMILES

CC1=CC=C(C=C1)[C@H](CNC(=O)C2=CC=CC=C2)[NH+]3CCCCCC3

InChI

InChI=1S/C22H28N2O/c1-18-11-13-19(14-12-18)21(24-15-7-2-3-8-16-24)17-23-22(25)20-9-5-4-6-10-20/h4-6,9-14,21H,2-3,7-8,15-17H2,1H3,(H,23,25)/p+1/t21-/m0/s1

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