4-[2-[(3R,5R)-3,5-dimethylpiperidin-1-yl]-2-oxidanylidene-ethyl]-N-(2-methylphenyl)piperazin-4-ium-1-carbothioamide

Systemtic Name: 4-[2-[(3R,5R)-3,5-dimethylpiperidin-1-yl]-2-oxidanylidene-ethyl]-N-(2-methylphenyl)piperazin-4-ium-1-carbothioamide Openeye Name: 4-[2-[(3R,5R)-3,5-dimethyl-1-piperidyl]-2-oxo-ethyl]-N-(o-tolyl)piperazin-4-ium-1-carbothioamide CAS Name: 4-[2-[(3R,5R)-3,5-dimethyl-1-piperidinyl]-2-oxoethyl]-N-(2-methylphenyl)-1-piperazin-4-iumcarbothioamide IUPAC Name: 4-[2-[(3R,5R)-3,5-dimethylpiperidin-1-yl]-2-oxoethyl]-N-(2-methylphenyl)piperazin-4-ium-1-carbothioamide Traditional Name: 4-[2-[(3R,5R)-3,5-dimethylpiperidino]-2-keto-ethyl]-N-(o-tolyl)piperazin-4-ium-1-carbothioamide Formula: C21H33N4OS+ MolecularWeight: 389.57792

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC(CN(C1)C(=O)C[NH+]2CCN(CC2)C(=S)NC3=CC=CC=C3C)C

Isomeric SMILES

C[C@@H]1C[C@H](CN(C1)C(=O)C[NH+]2CCN(CC2)C(=S)NC3=CC=CC=C3C)C

InChI

InChI=1S/C21H32N4OS/c1-16-12-17(2)14-25(13-16)20(26)15-23-8-10-24(11-9-23)21(27)22-19-7-5-4-6-18(19)3/h4-7,16-17H,8-15H2,1-3H3,(H,22,27)/p+1/t16-,17-/m1/s1