2-[(2R)-2-(4-methoxyphenyl)azepan-1-ium-1-yl]-N-(2-methylphenyl)ethanamide

Systemtic Name: 2-[(2R)-2-(4-methoxyphenyl)azepan-1-ium-1-yl]-N-(2-methylphenyl)ethanamide Openeye Name: 2-[(2R)-2-(4-methoxyphenyl)azepan-1-ium-1-yl]-N-(o-tolyl)acetamide CAS Name: 2-[(2R)-2-(4-methoxyphenyl)-1-azepan-1-iumyl]-N-(2-methylphenyl)acetamide IUPAC Name: 2-[(2R)-2-(4-methoxyphenyl)azepan-1-ium-1-yl]-N-(2-methylphenyl)acetamide Traditional Name: 2-[(2R)-2-(4-methoxyphenyl)azepan-1-ium-1-yl]-N-(o-tolyl)acetamide Formula: C22H29N2O2+ MolecularWeight: 353.47786

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1NC(=O)C[NH+]2CCCCCC2C3=CC=C(C=C3)OC

Isomeric SMILES

CC1=CC=CC=C1NC(=O)C[NH+]2CCCCC[C@@H]2C3=CC=C(C=C3)OC

InChI

InChI=1S/C22H28N2O2/c1-17-8-5-6-9-20(17)23-22(25)16-24-15-7-3-4-10-21(24)18-11-13-19(26-2)14-12-18/h5-6,8-9,11-14,21H,3-4,7,10,15-16H2,1-2H3,(H,23,25)/p+1/t21-/m1/s1