(2R)-N-(4-methylphenyl)-2-[2-(4-methylpiperazin-1-ium-1-yl)ethyl]piperidine-1-carbothioamide

Systemtic Name: (2R)-N-(4-methylphenyl)-2-[2-(4-methylpiperazin-1-ium-1-yl)ethyl]piperidine-1-carbothioamide Openeye Name: (2R)-2-[2-(4-methylpiperazin-1-ium-1-yl)ethyl]-N-(p-tolyl)piperidine-1-carbothioamide CAS Name: (2R)-N-(4-methylphenyl)-2-[2-(4-methyl-1-piperazin-1-iumyl)ethyl]-1-piperidinecarbothioamide IUPAC Name: (2R)-N-(4-methylphenyl)-2-[2-(4-methylpiperazin-1-ium-1-yl)ethyl]piperidine-1-carbothioamide Traditional Name: (2R)-2-[2-(4-methylpiperazin-1-ium-1-yl)ethyl]-N-(p-tolyl)piperidine-1-carbothioamide Formula: C20H33N4S+ MolecularWeight: 361.56782

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)NC(=S)N2CCCCC2CC[NH+]3CCN(CC3)C

Isomeric SMILES

CC1=CC=C(C=C1)NC(=S)N2CCCC[C@@H]2CC[NH+]3CCN(CC3)C

InChI

InChI=1S/C20H32N4S/c1-17-6-8-18(9-7-17)21-20(25)24-11-4-3-5-19(24)10-12-23-15-13-22(2)14-16-23/h6-9,19H,3-5,10-16H2,1-2H3,(H,21,25)/p+1/t19-/m1/s1