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

Systemtic Name: N'-(2-methylquinolin-4-yl)-N-[[1-(thiophen-2-ylmethyl)piperidin-1-ium-4-yl]methyl]ethanediamide Openeye Name: N'-(2-methyl-4-quinolyl)-N-[[1-(2-thienylmethyl)piperidin-1-ium-4-yl]methyl]oxamide CAS Name: N'-(2-methyl-4-quinolinyl)-N-[[1-(thiophen-2-ylmethyl)-4-piperidin-1-iumyl]methyl]oxamide IUPAC Name: N'-(2-methylquinolin-4-yl)-N-[[1-(thiophen-2-ylmethyl)piperidin-1-ium-4-yl]methyl]oxamide Traditional Name: N'-(2-methyl-4-quinolyl)-N-[[1-(2-thenyl)piperidin-1-ium-4-yl]methyl]oxamide Formula: C23H27N4O2S+ MolecularWeight: 423.55108

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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=CS4

Isomeric SMILES

CC1=NC2=CC=CC=C2C(=C1)NC(=O)C(=O)NCC3CC[NH+](CC3)CC4=CC=CS4

InChI

InChI=1S/C23H26N4O2S/c1-16-13-21(19-6-2-3-7-20(19)25-16)26-23(29)22(28)24-14-17-8-10-27(11-9-17)15-18-5-4-12-30-18/h2-7,12-13,17H,8-11,14-15H2,1H3,(H,24,28)(H,25,26,29)/p+1