4-[(3-chlorophenyl)methyl]-N-(3-methylsulfanylpropyl)piperazin-4-ium-1-carbothioamide

Systemtic Name: 4-[(3-chlorophenyl)methyl]-N-(3-methylsulfanylpropyl)piperazin-4-ium-1-carbothioamide Openeye Name: 4-[(3-chlorophenyl)methyl]-N-(3-methylsulfanylpropyl)piperazin-4-ium-1-carbothioamide CAS Name: 4-[(3-chlorophenyl)methyl]-N-[3-(methylthio)propyl]-1-piperazin-4-iumcarbothioamide IUPAC Name: 4-[(3-chlorophenyl)methyl]-N-(3-methylsulfanylpropyl)piperazin-4-ium-1-carbothioamide Traditional Name: 4-(3-chlorobenzyl)-N-[3-(methylthio)propyl]piperazin-4-ium-1-carbothioamide Formula: C16H25ClN3S2+ MolecularWeight: 358.9728

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Descriptors Computed from Structure

Canonical SMILES:

CSCCCNC(=S)N1CC[NH+](CC1)CC2=CC(=CC=C2)Cl

Isomeric SMILES

CSCCCNC(=S)N1CC[NH+](CC1)CC2=CC(=CC=C2)Cl

InChI

InChI=1S/C16H24ClN3S2/c1-22-11-3-6-18-16(21)20-9-7-19(8-10-20)13-14-4-2-5-15(17)12-14/h2,4-5,12H,3,6-11,13H2,1H3,(H,18,21)/p+1