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

Systemtic Name: 4-[2-[(3R,5R)-3,5-dimethylpiperidin-1-yl]-2-oxidanylidene-ethyl]-N-(4-ethoxyphenyl)piperazin-4-ium-1-carbothioamide Openeye Name: 4-[2-[(3R,5R)-3,5-dimethyl-1-piperidyl]-2-oxo-ethyl]-N-(4-ethoxyphenyl)piperazin-4-ium-1-carbothioamide CAS Name: 4-[2-[(3R,5R)-3,5-dimethyl-1-piperidinyl]-2-oxoethyl]-N-(4-ethoxyphenyl)-1-piperazin-4-iumcarbothioamide IUPAC Name: 4-[2-[(3R,5R)-3,5-dimethylpiperidin-1-yl]-2-oxoethyl]-N-(4-ethoxyphenyl)piperazin-4-ium-1-carbothioamide Traditional Name: 4-[2-[(3R,5R)-3,5-dimethylpiperidino]-2-keto-ethyl]-N-p-phenetyl-piperazin-4-ium-1-carbothioamide Formula: C22H35N4O2S+ MolecularWeight: 419.6039

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)NC(=S)N2CC[NH+](CC2)CC(=O)N3CC(CC(C3)C)C

Isomeric SMILES

CCOC1=CC=C(C=C1)NC(=S)N2CC[NH+](CC2)CC(=O)N3C[C@@H](C[C@H](C3)C)C

InChI

InChI=1S/C22H34N4O2S/c1-4-28-20-7-5-19(6-8-20)23-22(29)25-11-9-24(10-12-25)16-21(27)26-14-17(2)13-18(3)15-26/h5-8,17-18H,4,9-16H2,1-3H3,(H,23,29)/p+1/t17-,18-/m1/s1