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

Systemtic Name: N'-(3-acetamidophenyl)-N-[[1-(thiophen-2-ylmethyl)piperidin-1-ium-4-yl]methyl]ethanediamide Openeye Name: N'-(3-acetamidophenyl)-N-[[1-(2-thienylmethyl)piperidin-1-ium-4-yl]methyl]oxamide CAS Name: N'-(3-acetamidophenyl)-N-[[1-(thiophen-2-ylmethyl)-4-piperidin-1-iumyl]methyl]oxamide IUPAC Name: N'-(3-acetamidophenyl)-N-[[1-(thiophen-2-ylmethyl)piperidin-1-ium-4-yl]methyl]oxamide Traditional Name: N'-(3-acetamidophenyl)-N-[[1-(2-thenyl)piperidin-1-ium-4-yl]methyl]oxamide Formula: C21H27N4O3S+ MolecularWeight: 415.52908

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC=CC(=C1)NC(=O)C(=O)NCC2CC[NH+](CC2)CC3=CC=CS3

Isomeric SMILES

CC(=O)NC1=CC=CC(=C1)NC(=O)C(=O)NCC2CC[NH+](CC2)CC3=CC=CS3

InChI

InChI=1S/C21H26N4O3S/c1-15(26)23-17-4-2-5-18(12-17)24-21(28)20(27)22-13-16-7-9-25(10-8-16)14-19-6-3-11-29-19/h2-6,11-12,16H,7-10,13-14H2,1H3,(H,22,27)(H,23,26)(H,24,28)/p+1