2-[[(3S)-3-(1H-pyrazol-5-yl)piperidin-1-ium-1-yl]methyl]phenol

Systemtic Name: 2-[[(3S)-3-(1H-pyrazol-5-yl)piperidin-1-ium-1-yl]methyl]phenol Openeye Name: 2-[[(3S)-3-(1H-pyrazol-5-yl)piperidin-1-ium-1-yl]methyl]phenol CAS Name: 2-[[(3S)-3-(1H-pyrazol-5-yl)-1-piperidin-1-iumyl]methyl]phenol IUPAC Name: 2-[[(3S)-3-(1H-pyrazol-5-yl)piperidin-1-ium-1-yl]methyl]phenol Traditional Name: 2-[[(3S)-3-(1H-pyrazol-5-yl)piperidin-1-ium-1-yl]methyl]phenol Formula: C15H20N3O+ MolecularWeight: 258.3388

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(C[NH+](C1)CC2=CC=CC=C2O)C3=CC=NN3

Isomeric SMILES

C1C[C@@H](C[NH+](C1)CC2=CC=CC=C2O)C3=CC=NN3

InChI

InChI=1S/C15H19N3O/c19-15-6-2-1-4-13(15)11-18-9-3-5-12(10-18)14-7-8-16-17-14/h1-2,4,6-8,12,19H,3,5,9-11H2,(H,16,17)/p+1/t12-/m0/s1