N-[(3,4-dimethoxyphenyl)methyl]-2-[4-(phenylmethyl)-1,4-diazepan-4-ium-1-yl]ethanamide

Systemtic Name: N-[(3,4-dimethoxyphenyl)methyl]-2-[4-(phenylmethyl)-1,4-diazepan-4-ium-1-yl]ethanamide Openeye Name: 2-(4-benzyl-1,4-diazepan-4-ium-1-yl)-N-[(3,4-dimethoxyphenyl)methyl]acetamide CAS Name: N-[(3,4-dimethoxyphenyl)methyl]-2-[4-(phenylmethyl)-1,4-diazepan-4-ium-1-yl]acetamide IUPAC Name: 2-(4-benzyl-1,4-diazepan-4-ium-1-yl)-N-[(3,4-dimethoxyphenyl)methyl]acetamide Traditional Name: 2-(4-benzyl-1,4-diazepan-4-ium-1-yl)-N-veratryl-acetamide Formula: C23H32N3O3+ MolecularWeight: 398.51848

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CNC(=O)CN2CCC[NH+](CC2)CC3=CC=CC=C3)OC

Isomeric SMILES

COC1=C(C=C(C=C1)CNC(=O)CN2CCC[NH+](CC2)CC3=CC=CC=C3)OC

InChI

InChI=1S/C23H31N3O3/c1-28-21-10-9-20(15-22(21)29-2)16-24-23(27)18-26-12-6-11-25(13-14-26)17-19-7-4-3-5-8-19/h3-5,7-10,15H,6,11-14,16-18H2,1-2H3,(H,24,27)/p+1