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

Systemtic Name: N'-(3,4-dimethoxyphenyl)-N-[[1-(thiophen-2-ylmethyl)piperidin-1-ium-4-yl]methyl]ethanediamide Openeye Name: N'-(3,4-dimethoxyphenyl)-N-[[1-(2-thienylmethyl)piperidin-1-ium-4-yl]methyl]oxamide CAS Name: N'-(3,4-dimethoxyphenyl)-N-[[1-(thiophen-2-ylmethyl)-4-piperidin-1-iumyl]methyl]oxamide IUPAC Name: N'-(3,4-dimethoxyphenyl)-N-[[1-(thiophen-2-ylmethyl)piperidin-1-ium-4-yl]methyl]oxamide Traditional Name: N'-(3,4-dimethoxyphenyl)-N-[[1-(2-thenyl)piperidin-1-ium-4-yl]methyl]oxamide Formula: C21H28N3O4S+ MolecularWeight: 418.52972

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)NC(=O)C(=O)NCC2CC[NH+](CC2)CC3=CC=CS3)OC

Isomeric SMILES

COC1=C(C=C(C=C1)NC(=O)C(=O)NCC2CC[NH+](CC2)CC3=CC=CS3)OC

InChI

InChI=1S/C21H27N3O4S/c1-27-18-6-5-16(12-19(18)28-2)23-21(26)20(25)22-13-15-7-9-24(10-8-15)14-17-4-3-11-29-17/h3-6,11-12,15H,7-10,13-14H2,1-2H3,(H,22,25)(H,23,26)/p+1