N-[[1-(phenylmethyl)piperidin-1-ium-4-yl]methyl]-N'-(4-propan-2-ylphenyl)ethanediamide

Systemtic Name: N-[[1-(phenylmethyl)piperidin-1-ium-4-yl]methyl]-N'-(4-propan-2-ylphenyl)ethanediamide Openeye Name: N-[(1-benzylpiperidin-1-ium-4-yl)methyl]-N'-(4-isopropylphenyl)oxamide CAS Name: N-[[1-(phenylmethyl)-4-piperidin-1-iumyl]methyl]-N'-(4-propan-2-ylphenyl)oxamide IUPAC Name: N-[(1-benzylpiperidin-1-ium-4-yl)methyl]-N'-(4-propan-2-ylphenyl)oxamide Traditional Name: N-[(1-benzylpiperidin-1-ium-4-yl)methyl]-N'-p-cumenyl-oxamide Formula: C24H32N3O2+ MolecularWeight: 394.52978

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H31N3O2/c1-18(2)21-8-10-22(11-9-21)26-24(29)23(28)25-16-19-12-14-27(15-13-19)17-20-6-4-3-5-7-20/h3-11,18-19H,12-17H2,1-2H3,(H,25,28)(H,26,29)/p+1