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

Systemtic Name: N-[(2R)-2-(azepan-1-ium-1-yl)-2-(4-methylphenyl)ethyl]-3-ethoxy-benzamide Openeye Name: N-[(2R)-2-(azepan-1-ium-1-yl)-2-(p-tolyl)ethyl]-3-ethoxy-benzamide CAS Name: N-[(2R)-2-(1-azepan-1-iumyl)-2-(4-methylphenyl)ethyl]-3-ethoxybenzamide IUPAC Name: N-[(2R)-2-(azepan-1-ium-1-yl)-2-(4-methylphenyl)ethyl]-3-ethoxybenzamide Traditional Name: N-[(2R)-2-(azepan-1-ium-1-yl)-2-(p-tolyl)ethyl]-3-ethoxy-benzamide Formula: C24H33N2O2+ MolecularWeight: 381.53102

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC(=C1)C(=O)NCC(C2=CC=C(C=C2)C)[NH+]3CCCCCC3

Isomeric SMILES

CCOC1=CC=CC(=C1)C(=O)NC[C@@H](C2=CC=C(C=C2)C)[NH+]3CCCCCC3

InChI

InChI=1S/C24H32N2O2/c1-3-28-22-10-8-9-21(17-22)24(27)25-18-23(20-13-11-19(2)12-14-20)26-15-6-4-5-7-16-26/h8-14,17,23H,3-7,15-16,18H2,1-2H3,(H,25,27)/p+1/t23-/m0/s1