1-[(3R,4R)-4-(4-methylpiperazin-4-ium-1-yl)-3-oxidanyl-piperidin-1-yl]-2-(4-methylsulfanylphenyl)ethanone

Systemtic Name: 1-[(3R,4R)-4-(4-methylpiperazin-4-ium-1-yl)-3-oxidanyl-piperidin-1-yl]-2-(4-methylsulfanylphenyl)ethanone Openeye Name: 1-[(3R,4R)-3-hydroxy-4-(4-methylpiperazin-4-ium-1-yl)-1-piperidyl]-2-(4-methylsulfanylphenyl)ethanone CAS Name: 1-[(3R,4R)-3-hydroxy-4-(4-methyl-1-piperazin-4-iumyl)-1-piperidinyl]-2-[4-(methylthio)phenyl]ethanone IUPAC Name: 1-[(3R,4R)-3-hydroxy-4-(4-methylpiperazin-4-ium-1-yl)piperidin-1-yl]-2-(4-methylsulfanylphenyl)ethanone Traditional Name: 1-[(3R,4R)-3-hydroxy-4-(4-methylpiperazin-4-ium-1-yl)piperidino]-2-[4-(methylthio)phenyl]ethanone Formula: C19H30N3O2S+ MolecularWeight: 364.5254

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)C2CCN(CC2O)C(=O)CC3=CC=C(C=C3)SC

Isomeric SMILES

C[NH+]1CCN(CC1)[C@@H]2CCN(C[C@H]2O)C(=O)CC3=CC=C(C=C3)SC

InChI

InChI=1S/C19H29N3O2S/c1-20-9-11-21(12-10-20)17-7-8-22(14-18(17)23)19(24)13-15-3-5-16(25-2)6-4-15/h3-6,17-18,23H,7-14H2,1-2H3/p+1/t17-,18-/m1/s1