N-(4-methylphenyl)-2-[4-(4-oxidanylidene-4-thiophen-2-yl-butanoyl)piperazin-1-ium-1-yl]ethanamide

Systemtic Name: N-(4-methylphenyl)-2-[4-(4-oxidanylidene-4-thiophen-2-yl-butanoyl)piperazin-1-ium-1-yl]ethanamide Openeye Name: 2-[4-[4-oxo-4-(2-thienyl)butanoyl]piperazin-1-ium-1-yl]-N-(p-tolyl)acetamide CAS Name: 2-[4-(1,4-dioxo-4-thiophen-2-ylbutyl)-1-piperazin-1-iumyl]-N-(4-methylphenyl)acetamide IUPAC Name: N-(4-methylphenyl)-2-[4-(4-oxo-4-thiophen-2-ylbutanoyl)piperazin-1-ium-1-yl]acetamide Traditional Name: 2-[4-[4-keto-4-(2-thienyl)butanoyl]piperazin-1-ium-1-yl]-N-(p-tolyl)acetamide Formula: C21H26N3O3S+ MolecularWeight: 400.51444

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)NC(=O)C[NH+]2CCN(CC2)C(=O)CCC(=O)C3=CC=CS3

Isomeric SMILES

CC1=CC=C(C=C1)NC(=O)C[NH+]2CCN(CC2)C(=O)CCC(=O)C3=CC=CS3

InChI

InChI=1S/C21H25N3O3S/c1-16-4-6-17(7-5-16)22-20(26)15-23-10-12-24(13-11-23)21(27)9-8-18(25)19-3-2-14-28-19/h2-7,14H,8-13,15H2,1H3,(H,22,26)/p+1