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

Systemtic Name: N-(4-methoxyphenyl)-2-[(2S)-2-(4-methoxyphenyl)azepan-1-ium-1-yl]ethanamide Openeye Name: N-(4-methoxyphenyl)-2-[(2S)-2-(4-methoxyphenyl)azepan-1-ium-1-yl]acetamide CAS Name: N-(4-methoxyphenyl)-2-[(2S)-2-(4-methoxyphenyl)-1-azepan-1-iumyl]acetamide IUPAC Name: N-(4-methoxyphenyl)-2-[(2S)-2-(4-methoxyphenyl)azepan-1-ium-1-yl]acetamide Traditional Name: N-(4-methoxyphenyl)-2-[(2S)-2-(4-methoxyphenyl)azepan-1-ium-1-yl]acetamide Formula: C22H29N2O3+ MolecularWeight: 369.47726

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2CCCCC[NH+]2CC(=O)NC3=CC=C(C=C3)OC

Isomeric SMILES

COC1=CC=C(C=C1)[C@@H]2CCCCC[NH+]2CC(=O)NC3=CC=C(C=C3)OC

InChI

InChI=1S/C22H28N2O3/c1-26-19-11-7-17(8-12-19)21-6-4-3-5-15-24(21)16-22(25)23-18-9-13-20(27-2)14-10-18/h7-14,21H,3-6,15-16H2,1-2H3,(H,23,25)/p+1/t21-/m0/s1