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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(C(=N1)C2=CC=CC=C2)C[NH+]3CCC(C(C3)O)[NH+](C)CCC4=CC=CC=N4

Isomeric SMILES

CN1C=C(C(=N1)C2=CC=CC=C2)C[NH+]3CC[C@H]([C@@H](C3)O)[NH+](C)CCC4=CC=CC=N4

InChI

InChI=1S/C24H31N5O/c1-27(14-11-21-10-6-7-13-25-21)22-12-15-29(18-23(22)30)17-20-16-28(2)26-24(20)19-8-4-3-5-9-19/h3-10,13,16,22-23,30H,11-12,14-15,17-18H2,1-2H3/p+2/t22-,23-/m1/s1