N'-(3-methylsulfanylphenyl)-N-[[1-(thiophen-2-ylmethyl)piperidin-1-ium-4-yl]methyl]ethanediamide

Systemtic Name: N'-(3-methylsulfanylphenyl)-N-[[1-(thiophen-2-ylmethyl)piperidin-1-ium-4-yl]methyl]ethanediamide Openeye Name: N'-(3-methylsulfanylphenyl)-N-[[1-(2-thienylmethyl)piperidin-1-ium-4-yl]methyl]oxamide CAS Name: N'-[3-(methylthio)phenyl]-N-[[1-(thiophen-2-ylmethyl)-4-piperidin-1-iumyl]methyl]oxamide IUPAC Name: N'-(3-methylsulfanylphenyl)-N-[[1-(thiophen-2-ylmethyl)piperidin-1-ium-4-yl]methyl]oxamide Traditional Name: N'-[3-(methylthio)phenyl]-N-[[1-(2-thenyl)piperidin-1-ium-4-yl]methyl]oxamide Formula: C20H26N3O2S2+ MolecularWeight: 404.56934

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=CC(=C1)NC(=O)C(=O)NCC2CC[NH+](CC2)CC3=CC=CS3

Isomeric SMILES

CSC1=CC=CC(=C1)NC(=O)C(=O)NCC2CC[NH+](CC2)CC3=CC=CS3

InChI

InChI=1S/C20H25N3O2S2/c1-26-17-5-2-4-16(12-17)22-20(25)19(24)21-13-15-7-9-23(10-8-15)14-18-6-3-11-27-18/h2-6,11-12,15H,7-10,13-14H2,1H3,(H,21,24)(H,22,25)/p+1