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

Systemtic Name: N-methyl-4-[(3-methylphenyl)methyl]piperazin-4-ium-1-carbothioamide Openeye Name: N-methyl-4-(m-tolylmethyl)piperazin-4-ium-1-carbothioamide CAS Name: N-methyl-4-[(3-methylphenyl)methyl]-1-piperazin-4-iumcarbothioamide IUPAC Name: N-methyl-4-[(3-methylphenyl)methyl]piperazin-4-ium-1-carbothioamide Traditional Name: N-methyl-4-(3-methylbenzyl)piperazin-4-ium-1-carbothioamide Formula: C14H22N3S+ MolecularWeight: 264.40958

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)C[NH+]2CCN(CC2)C(=S)NC

Isomeric SMILES

CC1=CC(=CC=C1)C[NH+]2CCN(CC2)C(=S)NC

InChI

InChI=1S/C14H21N3S/c1-12-4-3-5-13(10-12)11-16-6-8-17(9-7-16)14(18)15-2/h3-5,10H,6-9,11H2,1-2H3,(H,15,18)/p+1