(3R,4R)-1-(3-methylsulfanylpropyl)-4-(4-pyridin-1-ium-2-ylpiperazin-1-yl)piperidin-1-ium-3-ol

Systemtic Name: (3R,4R)-1-(3-methylsulfanylpropyl)-4-(4-pyridin-1-ium-2-ylpiperazin-1-yl)piperidin-1-ium-3-ol Openeye Name: (3R,4R)-1-(3-methylsulfanylpropyl)-4-(4-pyridin-1-ium-2-ylpiperazin-1-yl)piperidin-1-ium-3-ol CAS Name: (3R,4R)-1-[3-(methylthio)propyl]-4-[4-(2-pyridin-1-iumyl)-1-piperazinyl]-3-piperidin-1-iumol IUPAC Name: (3R,4R)-1-(3-methylsulfanylpropyl)-4-(4-pyridin-1-ium-2-ylpiperazin-1-yl)piperidin-1-ium-3-ol Traditional Name: (3R,4R)-1-[3-(methylthio)propyl]-4-(4-pyridin-1-ium-2-ylpiperazino)piperidin-1-ium-3-ol Formula: C18H32N4OS+2 MolecularWeight: 352.53788

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Descriptors Computed from Structure

Canonical SMILES:

CSCCC[NH+]1CCC(C(C1)O)N2CCN(CC2)C3=CC=CC=[NH+]3

Isomeric SMILES

CSCCC[NH+]1CC[C@H]([C@@H](C1)O)N2CCN(CC2)C3=CC=CC=[NH+]3

InChI

InChI=1S/C18H30N4OS/c1-24-14-4-8-20-9-6-16(17(23)15-20)21-10-12-22(13-11-21)18-5-2-3-7-19-18/h2-3,5,7,16-17,23H,4,6,8-15H2,1H3/p+2/t16-,17-/m1/s1