N-(2,3-dimethylphenyl)-2-[4-(4-oxidanylidene-4-thiophen-2-yl-butanoyl)piperazin-1-ium-1-yl]ethanamide

Systemtic Name: N-(2,3-dimethylphenyl)-2-[4-(4-oxidanylidene-4-thiophen-2-yl-butanoyl)piperazin-1-ium-1-yl]ethanamide Openeye Name: N-(2,3-dimethylphenyl)-2-[4-[4-oxo-4-(2-thienyl)butanoyl]piperazin-1-ium-1-yl]acetamide CAS Name: N-(2,3-dimethylphenyl)-2-[4-(1,4-dioxo-4-thiophen-2-ylbutyl)-1-piperazin-1-iumyl]acetamide IUPAC Name: N-(2,3-dimethylphenyl)-2-[4-(4-oxo-4-thiophen-2-ylbutanoyl)piperazin-1-ium-1-yl]acetamide Traditional Name: N-(2,3-dimethylphenyl)-2-[4-[4-keto-4-(2-thienyl)butanoyl]piperazin-1-ium-1-yl]acetamide Formula: C22H28N3O3S+ MolecularWeight: 414.54102

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H27N3O3S/c1-16-5-3-6-18(17(16)2)23-21(27)15-24-10-12-25(13-11-24)22(28)9-8-19(26)20-7-4-14-29-20/h3-7,14H,8-13,15H2,1-2H3,(H,23,27)/p+1