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

Systemtic Name: methyl-[(3R,4R)-3-oxidanyl-1-(1,3-thiazol-2-ylmethyl)piperidin-1-ium-4-yl]-(2-pyridin-2-ylethyl)azanium Openeye Name: [(3R,4R)-3-hydroxy-1-(thiazol-2-ylmethyl)piperidin-1-ium-4-yl]-methyl-[2-(2-pyridyl)ethyl]ammonium CAS Name: [(3R,4R)-3-hydroxy-1-(2-thiazolylmethyl)-4-piperidin-1-iumyl]-methyl-[2-(2-pyridinyl)ethyl]ammonium IUPAC Name: [(3R,4R)-3-hydroxy-1-(1,3-thiazol-2-ylmethyl)piperidin-1-ium-4-yl]-methyl-(2-pyridin-2-ylethyl)azanium Traditional Name: [(3R,4R)-3-hydroxy-1-(thiazol-2-ylmethyl)piperidin-1-ium-4-yl]-methyl-[2-(2-pyridyl)ethyl]ammonium Formula: C17H26N4OS+2 MolecularWeight: 334.47954

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](CCC1=CC=CC=N1)C2CC[NH+](CC2O)CC3=NC=CS3

Isomeric SMILES

C[NH+](CCC1=CC=CC=N1)[C@@H]2CC[NH+](C[C@H]2O)CC3=NC=CS3

InChI

InChI=1S/C17H24N4OS/c1-20(9-5-14-4-2-3-7-18-14)15-6-10-21(12-16(15)22)13-17-19-8-11-23-17/h2-4,7-8,11,15-16,22H,5-6,9-10,12-13H2,1H3/p+2/t15-,16-/m1/s1