2-[4-[2-(3,4-dimethylphenyl)sulfanylethanoyl]piperazin-1-ium-1-yl]-N-methyl-ethanamide

Systemtic Name: 2-[4-[2-(3,4-dimethylphenyl)sulfanylethanoyl]piperazin-1-ium-1-yl]-N-methyl-ethanamide Openeye Name: 2-[4-[2-(3,4-dimethylphenyl)sulfanylacetyl]piperazin-1-ium-1-yl]-N-methyl-acetamide CAS Name: 2-[4-[2-[(3,4-dimethylphenyl)thio]-1-oxoethyl]-1-piperazin-1-iumyl]-N-methylacetamide IUPAC Name: 2-[4-[2-(3,4-dimethylphenyl)sulfanylacetyl]piperazin-1-ium-1-yl]-N-methylacetamide Traditional Name: 2-[4-[2-[(3,4-dimethylphenyl)thio]acetyl]piperazin-1-ium-1-yl]-N-methyl-acetamide Formula: C17H26N3O2S+ MolecularWeight: 336.47224

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)SCC(=O)N2CC[NH+](CC2)CC(=O)NC)C

Isomeric SMILES

CC1=C(C=C(C=C1)SCC(=O)N2CC[NH+](CC2)CC(=O)NC)C

InChI

InChI=1S/C17H25N3O2S/c1-13-4-5-15(10-14(13)2)23-12-17(22)20-8-6-19(7-9-20)11-16(21)18-3/h4-5,10H,6-9,11-12H2,1-3H3,(H,18,21)/p+1