N-(2-methoxy-5-methyl-phenyl)-2-[(2R)-2-(4-methoxyphenyl)azepan-1-ium-1-yl]ethanamide

Systemtic Name: N-(2-methoxy-5-methyl-phenyl)-2-[(2R)-2-(4-methoxyphenyl)azepan-1-ium-1-yl]ethanamide Openeye Name: N-(2-methoxy-5-methyl-phenyl)-2-[(2R)-2-(4-methoxyphenyl)azepan-1-ium-1-yl]acetamide CAS Name: N-(2-methoxy-5-methylphenyl)-2-[(2R)-2-(4-methoxyphenyl)-1-azepan-1-iumyl]acetamide IUPAC Name: N-(2-methoxy-5-methylphenyl)-2-[(2R)-2-(4-methoxyphenyl)azepan-1-ium-1-yl]acetamide Traditional Name: N-(2-methoxy-5-methyl-phenyl)-2-[(2R)-2-(4-methoxyphenyl)azepan-1-ium-1-yl]acetamide Formula: C23H31N2O3+ MolecularWeight: 383.50384

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)OC)NC(=O)C[NH+]2CCCCCC2C3=CC=C(C=C3)OC

Isomeric SMILES

CC1=CC(=C(C=C1)OC)NC(=O)C[NH+]2CCCCC[C@@H]2C3=CC=C(C=C3)OC

InChI

InChI=1S/C23H30N2O3/c1-17-8-13-22(28-3)20(15-17)24-23(26)16-25-14-6-4-5-7-21(25)18-9-11-19(27-2)12-10-18/h8-13,15,21H,4-7,14,16H2,1-3H3,(H,24,26)/p+1/t21-/m1/s1