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

Systemtic Name: methyl-[(3R,4R)-3-oxidanyl-1-[(5-phenyl-1H-pyrazol-4-yl)methyl]piperidin-1-ium-4-yl]-(2-pyridin-2-ylethyl)azanium Openeye Name: [(3R,4R)-3-hydroxy-1-[(5-phenyl-1H-pyrazol-4-yl)methyl]piperidin-1-ium-4-yl]-methyl-[2-(2-pyridyl)ethyl]ammonium CAS Name: [(3R,4R)-3-hydroxy-1-[(5-phenyl-1H-pyrazol-4-yl)methyl]-4-piperidin-1-iumyl]-methyl-[2-(2-pyridinyl)ethyl]ammonium IUPAC Name: [(3R,4R)-3-hydroxy-1-[(5-phenyl-1H-pyrazol-4-yl)methyl]piperidin-1-ium-4-yl]-methyl-(2-pyridin-2-ylethyl)azanium Traditional Name: [(3R,4R)-3-hydroxy-1-[(5-phenyl-1H-pyrazol-4-yl)methyl]piperidin-1-ium-4-yl]-methyl-[2-(2-pyridyl)ethyl]ammonium Formula: C23H31N5O+2 MolecularWeight: 393.52514

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](CCC1=CC=CC=N1)C2CC[NH+](CC2O)CC3=C(NN=C3)C4=CC=CC=C4

Isomeric SMILES

C[NH+](CCC1=CC=CC=N1)[C@@H]2CC[NH+](C[C@H]2O)CC3=C(NN=C3)C4=CC=CC=C4

InChI

InChI=1S/C23H29N5O/c1-27(13-10-20-9-5-6-12-24-20)21-11-14-28(17-22(21)29)16-19-15-25-26-23(19)18-7-3-2-4-8-18/h2-9,12,15,21-22,29H,10-11,13-14,16-17H2,1H3,(H,25,26)/p+2/t21-,22-/m1/s1