[(3R)-3-[(3-methoxyphenyl)methyl]-1-(3-pyrazol-1-ylpropyl)piperidin-1-ium-3-yl]methanol

Systemtic Name: [(3R)-3-[(3-methoxyphenyl)methyl]-1-(3-pyrazol-1-ylpropyl)piperidin-1-ium-3-yl]methanol Openeye Name: [(3R)-3-[(3-methoxyphenyl)methyl]-1-(3-pyrazol-1-ylpropyl)piperidin-1-ium-3-yl]methanol CAS Name: [(3R)-3-[(3-methoxyphenyl)methyl]-1-[3-(1-pyrazolyl)propyl]-3-piperidin-1-iumyl]methanol IUPAC Name: [(3R)-3-[(3-methoxyphenyl)methyl]-1-(3-pyrazol-1-ylpropyl)piperidin-1-ium-3-yl]methanol Traditional Name: [(3R)-3-m-anisyl-1-(3-pyrazol-1-ylpropyl)piperidin-1-ium-3-yl]methanol Formula: C20H30N3O2+ MolecularWeight: 344.4711

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)CC2(CCC[NH+](C2)CCCN3C=CC=N3)CO

Isomeric SMILES

COC1=CC=CC(=C1)C[C@@]2(CCC[NH+](C2)CCCN3C=CC=N3)CO

InChI

InChI=1S/C20H29N3O2/c1-25-19-7-2-6-18(14-19)15-20(17-24)8-3-10-22(16-20)11-5-13-23-12-4-9-21-23/h2,4,6-7,9,12,14,24H,3,5,8,10-11,13,15-17H2,1H3/p+1/t20-/m1/s1