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

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

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)C(=S)NCC2=CC=CC=C2

Isomeric SMILES

C[NH+]1CCN(CC1)C(=S)NCC2=CC=CC=C2

InChI

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