N'-(4-methoxyphenyl)-N-[2-(4-thiophen-2-ylcarbonylpiperazin-1-ium-1-yl)ethyl]ethanediamide

Systemtic Name: N'-(4-methoxyphenyl)-N-[2-(4-thiophen-2-ylcarbonylpiperazin-1-ium-1-yl)ethyl]ethanediamide Openeye Name: N'-(4-methoxyphenyl)-N-[2-[4-(thiophene-2-carbonyl)piperazin-1-ium-1-yl]ethyl]oxamide CAS Name: N'-(4-methoxyphenyl)-N-[2-[4-[oxo(thiophen-2-yl)methyl]-1-piperazin-1-iumyl]ethyl]oxamide IUPAC Name: N'-(4-methoxyphenyl)-N-[2-[4-(thiophene-2-carbonyl)piperazin-1-ium-1-yl]ethyl]oxamide Traditional Name: N'-(4-methoxyphenyl)-N-[2-[4-(2-thenoyl)piperazin-1-ium-1-yl]ethyl]oxamide Formula: C20H25N4O4S+ MolecularWeight: 417.5019

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)NC(=O)C(=O)NCC[NH+]2CCN(CC2)C(=O)C3=CC=CS3

Isomeric SMILES

COC1=CC=C(C=C1)NC(=O)C(=O)NCC[NH+]2CCN(CC2)C(=O)C3=CC=CS3

InChI

InChI=1S/C20H24N4O4S/c1-28-16-6-4-15(5-7-16)22-19(26)18(25)21-8-9-23-10-12-24(13-11-23)20(27)17-3-2-14-29-17/h2-7,14H,8-13H2,1H3,(H,21,25)(H,22,26)/p+1