N'-(3,4-dimethylphenyl)-N-[[1-(phenylmethyl)piperidin-1-ium-4-yl]methyl]ethanediamide

Systemtic Name: N'-(3,4-dimethylphenyl)-N-[[1-(phenylmethyl)piperidin-1-ium-4-yl]methyl]ethanediamide Openeye Name: N-[(1-benzylpiperidin-1-ium-4-yl)methyl]-N'-(3,4-dimethylphenyl)oxamide CAS Name: N'-(3,4-dimethylphenyl)-N-[[1-(phenylmethyl)-4-piperidin-1-iumyl]methyl]oxamide IUPAC Name: N-[(1-benzylpiperidin-1-ium-4-yl)methyl]-N'-(3,4-dimethylphenyl)oxamide Traditional Name: N-[(1-benzylpiperidin-1-ium-4-yl)methyl]-N'-(3,4-dimethylphenyl)oxamide Formula: C23H30N3O2+ MolecularWeight: 380.5032

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=O)C(=O)NCC2CC[NH+](CC2)CC3=CC=CC=C3)C

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=O)C(=O)NCC2CC[NH+](CC2)CC3=CC=CC=C3)C

InChI

InChI=1S/C23H29N3O2/c1-17-8-9-21(14-18(17)2)25-23(28)22(27)24-15-19-10-12-26(13-11-19)16-20-6-4-3-5-7-20/h3-9,14,19H,10-13,15-16H2,1-2H3,(H,24,27)(H,25,28)/p+1