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

Systemtic Name: methyl-[(3R,4R)-1-[(2-methyl-4-pyrazol-1-yl-phenyl)methyl]-3-oxidanyl-piperidin-1-ium-4-yl]-(2-pyridin-2-ylethyl)azanium Openeye Name: [(3R,4R)-3-hydroxy-1-[(2-methyl-4-pyrazol-1-yl-phenyl)methyl]piperidin-1-ium-4-yl]-methyl-[2-(2-pyridyl)ethyl]ammonium CAS Name: [(3R,4R)-3-hydroxy-1-[[2-methyl-4-(1-pyrazolyl)phenyl]methyl]-4-piperidin-1-iumyl]-methyl-[2-(2-pyridinyl)ethyl]ammonium IUPAC Name: [(3R,4R)-3-hydroxy-1-[(2-methyl-4-pyrazol-1-ylphenyl)methyl]piperidin-1-ium-4-yl]-methyl-(2-pyridin-2-ylethyl)azanium Traditional Name: [(3R,4R)-3-hydroxy-1-(2-methyl-4-pyrazol-1-yl-benzyl)piperidin-1-ium-4-yl]-methyl-[2-(2-pyridyl)ethyl]ammonium Formula: C24H33N5O+2 MolecularWeight: 407.55172

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)N2C=CC=N2)C[NH+]3CCC(C(C3)O)[NH+](C)CCC4=CC=CC=N4

Isomeric SMILES

CC1=C(C=CC(=C1)N2C=CC=N2)C[NH+]3CC[C@H]([C@@H](C3)O)[NH+](C)CCC4=CC=CC=N4

InChI

InChI=1S/C24H31N5O/c1-19-16-22(29-13-5-12-26-29)8-7-20(19)17-28-15-10-23(24(30)18-28)27(2)14-9-21-6-3-4-11-25-21/h3-8,11-13,16,23-24,30H,9-10,14-15,17-18H2,1-2H3/p+2/t23-,24-/m1/s1