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

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

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C(C2=CC=C(C=C2)OC)NC(=O)C[NH+]3CCCCCC3

Isomeric SMILES

COC1=CC=C(C=C1)C(C2=CC=C(C=C2)OC)NC(=O)C[NH+]3CCCCCC3

InChI

InChI=1S/C23H30N2O3/c1-27-20-11-7-18(8-12-20)23(19-9-13-21(28-2)14-10-19)24-22(26)17-25-15-5-3-4-6-16-25/h7-14,23H,3-6,15-17H2,1-2H3,(H,24,26)/p+1