N-(2-ethylphenyl)-2-[4-[4-(5-methylthiophen-2-yl)-4-oxidanylidene-butanoyl]piperazin-1-ium-1-yl]ethanamide

Systemtic Name: N-(2-ethylphenyl)-2-[4-[4-(5-methylthiophen-2-yl)-4-oxidanylidene-butanoyl]piperazin-1-ium-1-yl]ethanamide Openeye Name: N-(2-ethylphenyl)-2-[4-[4-(5-methyl-2-thienyl)-4-oxo-butanoyl]piperazin-1-ium-1-yl]acetamide CAS Name: N-(2-ethylphenyl)-2-[4-[4-(5-methyl-2-thiophenyl)-1,4-dioxobutyl]-1-piperazin-1-iumyl]acetamide IUPAC Name: N-(2-ethylphenyl)-2-[4-[4-(5-methylthiophen-2-yl)-4-oxobutanoyl]piperazin-1-ium-1-yl]acetamide Traditional Name: N-(2-ethylphenyl)-2-[4-[4-keto-4-(5-methyl-2-thienyl)butanoyl]piperazin-1-ium-1-yl]acetamide Formula: C23H30N3O3S+ MolecularWeight: 428.5676

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=CC=C1NC(=O)C[NH+]2CCN(CC2)C(=O)CCC(=O)C3=CC=C(S3)C

Isomeric SMILES

CCC1=CC=CC=C1NC(=O)C[NH+]2CCN(CC2)C(=O)CCC(=O)C3=CC=C(S3)C

InChI

InChI=1S/C23H29N3O3S/c1-3-18-6-4-5-7-19(18)24-22(28)16-25-12-14-26(15-13-25)23(29)11-9-20(27)21-10-8-17(2)30-21/h4-8,10H,3,9,11-16H2,1-2H3,(H,24,28)/p+1