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

Systemtic Name: 2-[4-[(3-chloranyl-2-methyl-phenyl)carbamothioyl]piperazin-1-ium-1-yl]-N,N-dimethyl-ethanamide Openeye Name: 2-[4-[(3-chloro-2-methyl-phenyl)carbamothioyl]piperazin-1-ium-1-yl]-N,N-dimethyl-acetamide CAS Name: 2-[4-[(3-chloro-2-methylanilino)-sulfanylidenemethyl]-1-piperazin-1-iumyl]-N,N-dimethylacetamide IUPAC Name: 2-[4-[(3-chloro-2-methylphenyl)carbamothioyl]piperazin-1-ium-1-yl]-N,N-dimethylacetamide Traditional Name: 2-[4-[(3-chloro-2-methyl-phenyl)thiocarbamoyl]piperazin-1-ium-1-yl]-N,N-dimethyl-acetamide Formula: C16H24ClN4OS+ MolecularWeight: 355.90596

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC=C1Cl)NC(=S)N2CC[NH+](CC2)CC(=O)N(C)C

Isomeric SMILES

CC1=C(C=CC=C1Cl)NC(=S)N2CC[NH+](CC2)CC(=O)N(C)C

InChI

InChI=1S/C16H23ClN4OS/c1-12-13(17)5-4-6-14(12)18-16(23)21-9-7-20(8-10-21)11-15(22)19(2)3/h4-6H,7-11H2,1-3H3,(H,18,23)/p+1