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

Systemtic Name: N'-(2-cyanophenyl)-N-[[1-(thiophen-2-ylmethyl)piperidin-1-ium-4-yl]methyl]ethanediamide Openeye Name: N'-(2-cyanophenyl)-N-[[1-(2-thienylmethyl)piperidin-1-ium-4-yl]methyl]oxamide CAS Name: N'-(2-cyanophenyl)-N-[[1-(thiophen-2-ylmethyl)-4-piperidin-1-iumyl]methyl]oxamide IUPAC Name: N'-(2-cyanophenyl)-N-[[1-(thiophen-2-ylmethyl)piperidin-1-ium-4-yl]methyl]oxamide Traditional Name: N'-(2-cyanophenyl)-N-[[1-(2-thenyl)piperidin-1-ium-4-yl]methyl]oxamide Formula: C20H23N4O2S+ MolecularWeight: 383.48722

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCC1CNC(=O)C(=O)NC2=CC=CC=C2C#N)CC3=CC=CS3

Isomeric SMILES

C1C[NH+](CCC1CNC(=O)C(=O)NC2=CC=CC=C2C#N)CC3=CC=CS3

InChI

InChI=1S/C20H22N4O2S/c21-12-16-4-1-2-6-18(16)23-20(26)19(25)22-13-15-7-9-24(10-8-15)14-17-5-3-11-27-17/h1-6,11,15H,7-10,13-14H2,(H,22,25)(H,23,26)/p+1