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

Systemtic Name: N-(2,4-dimethoxyphenyl)-2-[(2R)-2-(4-methoxyphenyl)azepan-1-ium-1-yl]ethanamide Openeye Name: N-(2,4-dimethoxyphenyl)-2-[(2R)-2-(4-methoxyphenyl)azepan-1-ium-1-yl]acetamide CAS Name: N-(2,4-dimethoxyphenyl)-2-[(2R)-2-(4-methoxyphenyl)-1-azepan-1-iumyl]acetamide IUPAC Name: N-(2,4-dimethoxyphenyl)-2-[(2R)-2-(4-methoxyphenyl)azepan-1-ium-1-yl]acetamide Traditional Name: N-(2,4-dimethoxyphenyl)-2-[(2R)-2-(4-methoxyphenyl)azepan-1-ium-1-yl]acetamide Formula: C23H31N2O4+ MolecularWeight: 399.50324

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H30N2O4/c1-27-18-10-8-17(9-11-18)21-7-5-4-6-14-25(21)16-23(26)24-20-13-12-19(28-2)15-22(20)29-3/h8-13,15,21H,4-7,14,16H2,1-3H3,(H,24,26)/p+1/t21-/m1/s1