methyl-[(3R,4R)-1-[(2-methylsulfanylpyrimidin-5-yl)methyl]-3-oxidanyl-piperidin-1-ium-4-yl]-(2-pyridin-2-ylethyl)azanium

Systemtic Name: methyl-[(3R,4R)-1-[(2-methylsulfanylpyrimidin-5-yl)methyl]-3-oxidanyl-piperidin-1-ium-4-yl]-(2-pyridin-2-ylethyl)azanium Openeye Name: [(3R,4R)-3-hydroxy-1-[(2-methylsulfanylpyrimidin-5-yl)methyl]piperidin-1-ium-4-yl]-methyl-[2-(2-pyridyl)ethyl]ammonium CAS Name: [(3R,4R)-3-hydroxy-1-[[2-(methylthio)-5-pyrimidinyl]methyl]-4-piperidin-1-iumyl]-methyl-[2-(2-pyridinyl)ethyl]ammonium IUPAC Name: [(3R,4R)-3-hydroxy-1-[(2-methylsulfanylpyrimidin-5-yl)methyl]piperidin-1-ium-4-yl]-methyl-(2-pyridin-2-ylethyl)azanium Traditional Name: [(3R,4R)-3-hydroxy-1-[[2-(methylthio)pyrimidin-5-yl]methyl]piperidin-1-ium-4-yl]-methyl-[2-(2-pyridyl)ethyl]ammonium Formula: C19H29N5OS+2 MolecularWeight: 375.53146

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](CCC1=CC=CC=N1)C2CC[NH+](CC2O)CC3=CN=C(N=C3)SC

Isomeric SMILES

C[NH+](CCC1=CC=CC=N1)[C@@H]2CC[NH+](C[C@H]2O)CC3=CN=C(N=C3)SC

InChI

InChI=1S/C19H27N5OS/c1-23(9-6-16-5-3-4-8-20-16)17-7-10-24(14-18(17)25)13-15-11-21-19(26-2)22-12-15/h3-5,8,11-12,17-18,25H,6-7,9-10,13-14H2,1-2H3/p+2/t17-,18-/m1/s1