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

Systemtic Name: 4-[2-[(3R,5R)-3,5-dimethylpiperidin-1-yl]-2-oxidanylidene-ethyl]-N-(3-methylphenyl)piperazin-4-ium-1-carbothioamide Openeye Name: 4-[2-[(3R,5R)-3,5-dimethyl-1-piperidyl]-2-oxo-ethyl]-N-(m-tolyl)piperazin-4-ium-1-carbothioamide CAS Name: 4-[2-[(3R,5R)-3,5-dimethyl-1-piperidinyl]-2-oxoethyl]-N-(3-methylphenyl)-1-piperazin-4-iumcarbothioamide IUPAC Name: 4-[2-[(3R,5R)-3,5-dimethylpiperidin-1-yl]-2-oxoethyl]-N-(3-methylphenyl)piperazin-4-ium-1-carbothioamide Traditional Name: 4-[2-[(3R,5R)-3,5-dimethylpiperidino]-2-keto-ethyl]-N-(m-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(=C3)C)C

Isomeric SMILES

C[C@@H]1C[C@H](CN(C1)C(=O)C[NH+]2CCN(CC2)C(=S)NC3=CC=CC(=C3)C)C

InChI

InChI=1S/C21H32N4OS/c1-16-5-4-6-19(12-16)22-21(27)24-9-7-23(8-10-24)15-20(26)25-13-17(2)11-18(3)14-25/h4-6,12,17-18H,7-11,13-15H2,1-3H3,(H,22,27)/p+1/t17-,18-/m1/s1