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

Systemtic Name: methyl-[(3R,4R)-1-[(1-methylpyrazol-4-yl)methyl]-3-oxidanyl-piperidin-4-yl]-(2-pyridin-2-ylethyl)azanium Openeye Name: [(3R,4R)-3-hydroxy-1-[(1-methylpyrazol-4-yl)methyl]-4-piperidyl]-methyl-[2-(2-pyridyl)ethyl]ammonium CAS Name: [(3R,4R)-3-hydroxy-1-[(1-methyl-4-pyrazolyl)methyl]-4-piperidinyl]-methyl-[2-(2-pyridinyl)ethyl]ammonium IUPAC Name: [(3R,4R)-3-hydroxy-1-[(1-methylpyrazol-4-yl)methyl]piperidin-4-yl]-methyl-(2-pyridin-2-ylethyl)azanium Traditional Name: [(3R,4R)-3-hydroxy-1-[(1-methylpyrazol-4-yl)methyl]-4-piperidyl]-methyl-[2-(2-pyridyl)ethyl]ammonium Formula: C18H28N5O+ MolecularWeight: 330.44782

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(C=N1)CN2CCC(C(C2)O)[NH+](C)CCC3=CC=CC=N3

Isomeric SMILES

CN1C=C(C=N1)CN2CC[C@H]([C@@H](C2)O)[NH+](C)CCC3=CC=CC=N3

InChI

InChI=1S/C18H27N5O/c1-21(9-6-16-5-3-4-8-19-16)17-7-10-23(14-18(17)24)13-15-11-20-22(2)12-15/h3-5,8,11-12,17-18,24H,6-7,9-10,13-14H2,1-2H3/p+1/t17-,18-/m1/s1