2-[4-[2-(4-acetamidophenyl)sulfanylethanoyl]piperazin-1-ium-1-yl]-N,N-dimethyl-ethanamide

Systemtic Name: 2-[4-[2-(4-acetamidophenyl)sulfanylethanoyl]piperazin-1-ium-1-yl]-N,N-dimethyl-ethanamide Openeye Name: 2-[4-[2-(4-acetamidophenyl)sulfanylacetyl]piperazin-1-ium-1-yl]-N,N-dimethyl-acetamide CAS Name: 2-[4-[2-[(4-acetamidophenyl)thio]-1-oxoethyl]-1-piperazin-1-iumyl]-N,N-dimethylacetamide IUPAC Name: 2-[4-[2-(4-acetamidophenyl)sulfanylacetyl]piperazin-1-ium-1-yl]-N,N-dimethylacetamide Traditional Name: 2-[4-[2-[(4-acetamidophenyl)thio]acetyl]piperazin-1-ium-1-yl]-N,N-dimethyl-acetamide Formula: C18H27N4O3S+ MolecularWeight: 379.49698

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC=C(C=C1)SCC(=O)N2CC[NH+](CC2)CC(=O)N(C)C

Isomeric SMILES

CC(=O)NC1=CC=C(C=C1)SCC(=O)N2CC[NH+](CC2)CC(=O)N(C)C

InChI

InChI=1S/C18H26N4O3S/c1-14(23)19-15-4-6-16(7-5-15)26-13-18(25)22-10-8-21(9-11-22)12-17(24)20(2)3/h4-7H,8-13H2,1-3H3,(H,19,23)/p+1