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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H28N2O2/c1-23(19-9-5-3-6-10-19)22(25)17-24-16-8-4-7-11-21(24)18-12-14-20(26-2)15-13-18/h3,5-6,9-10,12-15,21H,4,7-8,11,16-17H2,1-2H3/p+1/t21-/m1/s1