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

Systemtic Name: 2-[4-[(2,3-dimethylphenyl)carbamothioyl]piperazin-1-ium-1-yl]-N,N-dimethyl-ethanamide Openeye Name: 2-[4-[(2,3-dimethylphenyl)carbamothioyl]piperazin-1-ium-1-yl]-N,N-dimethyl-acetamide CAS Name: 2-[4-[(2,3-dimethylanilino)-sulfanylidenemethyl]-1-piperazin-1-iumyl]-N,N-dimethylacetamide IUPAC Name: 2-[4-[(2,3-dimethylphenyl)carbamothioyl]piperazin-1-ium-1-yl]-N,N-dimethylacetamide Traditional Name: 2-[4-[(2,3-dimethylphenyl)thiocarbamoyl]piperazin-1-ium-1-yl]-N,N-dimethyl-acetamide Formula: C17H27N4OS+ MolecularWeight: 335.48748

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H26N4OS/c1-13-6-5-7-15(14(13)2)18-17(23)21-10-8-20(9-11-21)12-16(22)19(3)4/h5-7H,8-12H2,1-4H3,(H,18,23)/p+1