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

Systemtic Name: 4-[2-[(3R,5R)-3,5-dimethylpiperidin-1-yl]-2-oxidanylidene-ethyl]-N-(4-nitrophenyl)piperazin-4-ium-1-carbothioamide Openeye Name: 4-[2-[(3R,5R)-3,5-dimethyl-1-piperidyl]-2-oxo-ethyl]-N-(4-nitrophenyl)piperazin-4-ium-1-carbothioamide CAS Name: 4-[2-[(3R,5R)-3,5-dimethyl-1-piperidinyl]-2-oxoethyl]-N-(4-nitrophenyl)-1-piperazin-4-iumcarbothioamide IUPAC Name: 4-[2-[(3R,5R)-3,5-dimethylpiperidin-1-yl]-2-oxoethyl]-N-(4-nitrophenyl)piperazin-4-ium-1-carbothioamide Traditional Name: 4-[2-[(3R,5R)-3,5-dimethylpiperidino]-2-keto-ethyl]-N-(4-nitrophenyl)piperazin-4-ium-1-carbothioamide Formula: C20H30N5O3S+ MolecularWeight: 420.5489

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC(CN(C1)C(=O)C[NH+]2CCN(CC2)C(=S)NC3=CC=C(C=C3)[N+](=O)[O-])C

Isomeric SMILES

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

InChI

InChI=1S/C20H29N5O3S/c1-15-11-16(2)13-24(12-15)19(26)14-22-7-9-23(10-8-22)20(29)21-17-3-5-18(6-4-17)25(27)28/h3-6,15-16H,7-14H2,1-2H3,(H,21,29)/p+1/t15-,16-/m1/s1