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

Systemtic Name: 2-[4-[(4-ethylphenyl)carbamothioyl]piperazin-1-ium-1-yl]-N,N-dimethyl-ethanamide Openeye Name: 2-[4-[(4-ethylphenyl)carbamothioyl]piperazin-1-ium-1-yl]-N,N-dimethyl-acetamide CAS Name: 2-[4-[(4-ethylanilino)-sulfanylidenemethyl]-1-piperazin-1-iumyl]-N,N-dimethylacetamide IUPAC Name: 2-[4-[(4-ethylphenyl)carbamothioyl]piperazin-1-ium-1-yl]-N,N-dimethylacetamide Traditional Name: 2-[4-[(4-ethylphenyl)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:

CCC1=CC=C(C=C1)NC(=S)N2CC[NH+](CC2)CC(=O)N(C)C

Isomeric SMILES

CCC1=CC=C(C=C1)NC(=S)N2CC[NH+](CC2)CC(=O)N(C)C

InChI

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