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

Systemtic Name: 4-[(3-chlorophenyl)methyl]-N-methyl-piperazin-4-ium-1-carbothioamide Openeye Name: 4-[(3-chlorophenyl)methyl]-N-methyl-piperazin-4-ium-1-carbothioamide CAS Name: 4-[(3-chlorophenyl)methyl]-N-methyl-1-piperazin-4-iumcarbothioamide IUPAC Name: 4-[(3-chlorophenyl)methyl]-N-methylpiperazin-4-ium-1-carbothioamide Traditional Name: 4-(3-chlorobenzyl)-N-methyl-piperazin-4-ium-1-carbothioamide Formula: C13H19ClN3S+ MolecularWeight: 284.82806

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H18ClN3S/c1-15-13(18)17-7-5-16(6-8-17)10-11-3-2-4-12(14)9-11/h2-4,9H,5-8,10H2,1H3,(H,15,18)/p+1