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

Systemtic Name: N-[(2R)-2-(azepan-1-ium-1-yl)-2-(4-methylphenyl)ethyl]-2-methyl-benzamide Openeye Name: N-[(2R)-2-(azepan-1-ium-1-yl)-2-(p-tolyl)ethyl]-2-methyl-benzamide CAS Name: N-[(2R)-2-(1-azepan-1-iumyl)-2-(4-methylphenyl)ethyl]-2-methylbenzamide IUPAC Name: N-[(2R)-2-(azepan-1-ium-1-yl)-2-(4-methylphenyl)ethyl]-2-methylbenzamide Traditional Name: N-[(2R)-2-(azepan-1-ium-1-yl)-2-(p-tolyl)ethyl]-2-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=C2C)[NH+]3CCCCCC3

Isomeric SMILES

CC1=CC=C(C=C1)[C@H](CNC(=O)C2=CC=CC=C2C)[NH+]3CCCCCC3

InChI

InChI=1S/C23H30N2O/c1-18-11-13-20(14-12-18)22(25-15-7-3-4-8-16-25)17-24-23(26)21-10-6-5-9-19(21)2/h5-6,9-14,22H,3-4,7-8,15-17H2,1-2H3,(H,24,26)/p+1/t22-/m0/s1