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

Systemtic Name: N'-(phenylmethyl)-N-[2-(4-thiophen-2-ylcarbonylpiperazin-1-ium-1-yl)ethyl]ethanediamide Openeye Name: N'-benzyl-N-[2-[4-(thiophene-2-carbonyl)piperazin-1-ium-1-yl]ethyl]oxamide CAS Name: N-[2-[4-[oxo(thiophen-2-yl)methyl]-1-piperazin-1-iumyl]ethyl]-N'-(phenylmethyl)oxamide IUPAC Name: N'-benzyl-N-[2-[4-(thiophene-2-carbonyl)piperazin-1-ium-1-yl]ethyl]oxamide Traditional Name: N'-benzyl-N-[2-[4-(2-thenoyl)piperazin-1-ium-1-yl]ethyl]oxamide Formula: C20H25N4O3S+ MolecularWeight: 401.5025

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CCNC(=O)C(=O)NCC2=CC=CC=C2)C(=O)C3=CC=CS3

Isomeric SMILES

C1CN(CC[NH+]1CCNC(=O)C(=O)NCC2=CC=CC=C2)C(=O)C3=CC=CS3

InChI

InChI=1S/C20H24N4O3S/c25-18(19(26)22-15-16-5-2-1-3-6-16)21-8-9-23-10-12-24(13-11-23)20(27)17-7-4-14-28-17/h1-7,14H,8-13,15H2,(H,21,25)(H,22,26)/p+1