N-[(2R)-2-(azepan-1-ium-1-yl)-2-(4-methylphenyl)ethyl]-3-methyl-benzamide

Systemtic Name: N-[(2R)-2-(azepan-1-ium-1-yl)-2-(4-methylphenyl)ethyl]-3-methyl-benzamide Openeye Name: N-[(2R)-2-(azepan-1-ium-1-yl)-2-(p-tolyl)ethyl]-3-methyl-benzamide CAS Name: N-[(2R)-2-(1-azepan-1-iumyl)-2-(4-methylphenyl)ethyl]-3-methylbenzamide IUPAC Name: N-[(2R)-2-(azepan-1-ium-1-yl)-2-(4-methylphenyl)ethyl]-3-methylbenzamide Traditional Name: N-[(2R)-2-(azepan-1-ium-1-yl)-2-(p-tolyl)ethyl]-3-methyl-benzamide Formula: C23H31N2O+ MolecularWeight: 351.50504

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H30N2O/c1-18-10-12-20(13-11-18)22(25-14-5-3-4-6-15-25)17-24-23(26)21-9-7-8-19(2)16-21/h7-13,16,22H,3-6,14-15,17H2,1-2H3,(H,24,26)/p+1/t22-/m0/s1