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

Systemtic Name: methyl-[(3R,4R)-3-oxidanyl-1-[(4-pyrazol-1-ylphenyl)methyl]piperidin-1-ium-4-yl]-(2-pyridin-2-ylethyl)azanium Openeye Name: [(3R,4R)-3-hydroxy-1-[(4-pyrazol-1-ylphenyl)methyl]piperidin-1-ium-4-yl]-methyl-[2-(2-pyridyl)ethyl]ammonium CAS Name: [(3R,4R)-3-hydroxy-1-[[4-(1-pyrazolyl)phenyl]methyl]-4-piperidin-1-iumyl]-methyl-[2-(2-pyridinyl)ethyl]ammonium IUPAC Name: [(3R,4R)-3-hydroxy-1-[(4-pyrazol-1-ylphenyl)methyl]piperidin-1-ium-4-yl]-methyl-(2-pyridin-2-ylethyl)azanium Traditional Name: [(3R,4R)-3-hydroxy-1-(4-pyrazol-1-ylbenzyl)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=CC=C(C=C3)N4C=CC=N4

Isomeric SMILES

C[NH+](CCC1=CC=CC=N1)[C@@H]2CC[NH+](C[C@H]2O)CC3=CC=C(C=C3)N4C=CC=N4

InChI

InChI=1S/C23H29N5O/c1-26(15-10-20-5-2-3-12-24-20)22-11-16-27(18-23(22)29)17-19-6-8-21(9-7-19)28-14-4-13-25-28/h2-9,12-14,22-23,29H,10-11,15-18H2,1H3/p+2/t22-,23-/m1/s1