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

Systemtic Name: methyl-[(3R,4R)-3-oxidanyl-1-(pyridin-4-ylmethyl)piperidin-1-ium-4-yl]-(2-pyridin-2-ylethyl)azanium Openeye Name: [(3R,4R)-3-hydroxy-1-(4-pyridylmethyl)piperidin-1-ium-4-yl]-methyl-[2-(2-pyridyl)ethyl]ammonium CAS Name: [(3R,4R)-3-hydroxy-1-(pyridin-4-ylmethyl)-4-piperidin-1-iumyl]-methyl-[2-(2-pyridinyl)ethyl]ammonium IUPAC Name: [(3R,4R)-3-hydroxy-1-(pyridin-4-ylmethyl)piperidin-1-ium-4-yl]-methyl-(2-pyridin-2-ylethyl)azanium Traditional Name: [(3R,4R)-3-hydroxy-1-(4-pyridylmethyl)piperidin-1-ium-4-yl]-methyl-[2-(2-pyridyl)ethyl]ammonium Formula: C19H28N4O+2 MolecularWeight: 328.45182

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](CCC1=CC=CC=N1)C2CC[NH+](CC2O)CC3=CC=NC=C3

Isomeric SMILES

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

InChI

InChI=1S/C19H26N4O/c1-22(12-7-17-4-2-3-9-21-17)18-8-13-23(15-19(18)24)14-16-5-10-20-11-6-16/h2-6,9-11,18-19,24H,7-8,12-15H2,1H3/p+2/t18-,19-/m1/s1