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

Systemtic Name: 4-[(3-methylphenyl)methyl]-N-(3-methylsulfanylpropyl)piperazin-4-ium-1-carbothioamide Openeye Name: N-(3-methylsulfanylpropyl)-4-(m-tolylmethyl)piperazin-4-ium-1-carbothioamide CAS Name: 4-[(3-methylphenyl)methyl]-N-[3-(methylthio)propyl]-1-piperazin-4-iumcarbothioamide IUPAC Name: 4-[(3-methylphenyl)methyl]-N-(3-methylsulfanylpropyl)piperazin-4-ium-1-carbothioamide Traditional Name: 4-(3-methylbenzyl)-N-[3-(methylthio)propyl]piperazin-4-ium-1-carbothioamide Formula: C17H28N3S2+ MolecularWeight: 338.55432

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H27N3S2/c1-15-5-3-6-16(13-15)14-19-8-10-20(11-9-19)17(21)18-7-4-12-22-2/h3,5-6,13H,4,7-12,14H2,1-2H3,(H,18,21)/p+1