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

Systemtic Name: N-(3-chlorophenyl)-4-methyl-piperazin-4-ium-1-carbothioamide Openeye Name: N-(3-chlorophenyl)-4-methyl-piperazin-4-ium-1-carbothioamide CAS Name: N-(3-chlorophenyl)-4-methyl-1-piperazin-4-iumcarbothioamide IUPAC Name: N-(3-chlorophenyl)-4-methylpiperazin-4-ium-1-carbothioamide Traditional Name: N-(3-chlorophenyl)-4-methyl-piperazin-4-ium-1-carbothioamide Formula: C12H17ClN3S+ MolecularWeight: 270.80148

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)C(=S)NC2=CC(=CC=C2)Cl

Isomeric SMILES

C[NH+]1CCN(CC1)C(=S)NC2=CC(=CC=C2)Cl

InChI

InChI=1S/C12H16ClN3S/c1-15-5-7-16(8-6-15)12(17)14-11-4-2-3-10(13)9-11/h2-4,9H,5-8H2,1H3,(H,14,17)/p+1