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

Systemtic Name: methyl-[(3R,4R)-3-oxidanyl-1-(3-pyrazol-1-ylpropyl)piperidin-1-ium-4-yl]-(2-pyridin-2-ylethyl)azanium Openeye Name: [(3R,4R)-3-hydroxy-1-(3-pyrazol-1-ylpropyl)piperidin-1-ium-4-yl]-methyl-[2-(2-pyridyl)ethyl]ammonium CAS Name: [(3R,4R)-3-hydroxy-1-[3-(1-pyrazolyl)propyl]-4-piperidin-1-iumyl]-methyl-[2-(2-pyridinyl)ethyl]ammonium IUPAC Name: [(3R,4R)-3-hydroxy-1-(3-pyrazol-1-ylpropyl)piperidin-1-ium-4-yl]-methyl-(2-pyridin-2-ylethyl)azanium Traditional Name: [(3R,4R)-3-hydroxy-1-(3-pyrazol-1-ylpropyl)piperidin-1-ium-4-yl]-methyl-[2-(2-pyridyl)ethyl]ammonium Formula: C19H31N5O+2 MolecularWeight: 345.48234

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](CCC1=CC=CC=N1)C2CC[NH+](CC2O)CCCN3C=CC=N3

Isomeric SMILES

C[NH+](CCC1=CC=CC=N1)[C@@H]2CC[NH+](C[C@H]2O)CCCN3C=CC=N3

InChI

InChI=1S/C19H29N5O/c1-22(14-7-17-6-2-3-9-20-17)18-8-15-23(16-19(18)25)11-5-13-24-12-4-10-21-24/h2-4,6,9-10,12,18-19,25H,5,7-8,11,13-16H2,1H3/p+2/t18-,19-/m1/s1