N-methyl-4-(phenylmethyl)piperazin-4-ium-1-carbothioamide

Systemtic Name: N-methyl-4-(phenylmethyl)piperazin-4-ium-1-carbothioamide Openeye Name: 4-benzyl-N-methyl-piperazin-4-ium-1-carbothioamide CAS Name: N-methyl-4-(phenylmethyl)-1-piperazin-4-iumcarbothioamide IUPAC Name: 4-benzyl-N-methylpiperazin-4-ium-1-carbothioamide Traditional Name: 4-benzyl-N-methyl-piperazin-4-ium-1-carbothioamide Formula: C13H20N3S+ MolecularWeight: 250.383

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H19N3S/c1-14-13(17)16-9-7-15(8-10-16)11-12-5-3-2-4-6-12/h2-6H,7-11H2,1H3,(H,14,17)/p+1