N'-(2,5-dimethoxyphenyl)-N-[[1-(phenylmethyl)piperidin-1-ium-4-yl]methyl]ethanediamide

Systemtic Name: N'-(2,5-dimethoxyphenyl)-N-[[1-(phenylmethyl)piperidin-1-ium-4-yl]methyl]ethanediamide Openeye Name: N-[(1-benzylpiperidin-1-ium-4-yl)methyl]-N'-(2,5-dimethoxyphenyl)oxamide CAS Name: N'-(2,5-dimethoxyphenyl)-N-[[1-(phenylmethyl)-4-piperidin-1-iumyl]methyl]oxamide IUPAC Name: N-[(1-benzylpiperidin-1-ium-4-yl)methyl]-N'-(2,5-dimethoxyphenyl)oxamide Traditional Name: N-[(1-benzylpiperidin-1-ium-4-yl)methyl]-N'-(2,5-dimethoxyphenyl)oxamide Formula: C23H30N3O4+ MolecularWeight: 412.502

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)OC)NC(=O)C(=O)NCC2CC[NH+](CC2)CC3=CC=CC=C3

Isomeric SMILES

COC1=CC(=C(C=C1)OC)NC(=O)C(=O)NCC2CC[NH+](CC2)CC3=CC=CC=C3

InChI

InChI=1S/C23H29N3O4/c1-29-19-8-9-21(30-2)20(14-19)25-23(28)22(27)24-15-17-10-12-26(13-11-17)16-18-6-4-3-5-7-18/h3-9,14,17H,10-13,15-16H2,1-2H3,(H,24,27)(H,25,28)/p+1