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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC=C1C(=O)NCC(C2=CC=C(C=C2)C)[NH+]3CCCCCC3

Isomeric SMILES

CCOC1=CC=CC=C1C(=O)NC[C@@H](C2=CC=C(C=C2)C)[NH+]3CCCCCC3

InChI

InChI=1S/C24H32N2O2/c1-3-28-23-11-7-6-10-21(23)24(27)25-18-22(20-14-12-19(2)13-15-20)26-16-8-4-5-9-17-26/h6-7,10-15,22H,3-5,8-9,16-18H2,1-2H3,(H,25,27)/p+1/t22-/m0/s1