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

Systemtic Name: N'-(2-methylquinolin-4-yl)-N-[[1-(phenylmethyl)piperidin-1-ium-4-yl]methyl]ethanediamide Openeye Name: N-[(1-benzylpiperidin-1-ium-4-yl)methyl]-N'-(2-methyl-4-quinolyl)oxamide CAS Name: N'-(2-methyl-4-quinolinyl)-N-[[1-(phenylmethyl)-4-piperidin-1-iumyl]methyl]oxamide IUPAC Name: N-[(1-benzylpiperidin-1-ium-4-yl)methyl]-N'-(2-methylquinolin-4-yl)oxamide Traditional Name: N-[(1-benzylpiperidin-1-ium-4-yl)methyl]-N'-(2-methyl-4-quinolyl)oxamide Formula: C25H29N4O2+ MolecularWeight: 417.52336

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=CC=CC=C2C(=C1)NC(=O)C(=O)NCC3CC[NH+](CC3)CC4=CC=CC=C4

Isomeric SMILES

CC1=NC2=CC=CC=C2C(=C1)NC(=O)C(=O)NCC3CC[NH+](CC3)CC4=CC=CC=C4

InChI

InChI=1S/C25H28N4O2/c1-18-15-23(21-9-5-6-10-22(21)27-18)28-25(31)24(30)26-16-19-11-13-29(14-12-19)17-20-7-3-2-4-8-20/h2-10,15,19H,11-14,16-17H2,1H3,(H,26,30)(H,27,28,31)/p+1