4-cyclohexyl-N-(4-methylphenyl)piperazin-4-ium-1-carbothioamide

Systemtic Name: 4-cyclohexyl-N-(4-methylphenyl)piperazin-4-ium-1-carbothioamide Openeye Name: 4-cyclohexyl-N-(p-tolyl)piperazin-4-ium-1-carbothioamide CAS Name: 4-cyclohexyl-N-(4-methylphenyl)-1-piperazin-4-iumcarbothioamide IUPAC Name: 4-cyclohexyl-N-(4-methylphenyl)piperazin-4-ium-1-carbothioamide Traditional Name: 4-cyclohexyl-N-(p-tolyl)piperazin-4-ium-1-carbothioamide Formula: C18H28N3S+ MolecularWeight: 318.50002

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)NC(=S)N2CC[NH+](CC2)C3CCCCC3

Isomeric SMILES

CC1=CC=C(C=C1)NC(=S)N2CC[NH+](CC2)C3CCCCC3

InChI

InChI=1S/C18H27N3S/c1-15-7-9-16(10-8-15)19-18(22)21-13-11-20(12-14-21)17-5-3-2-4-6-17/h7-10,17H,2-6,11-14H2,1H3,(H,19,22)/p+1