4-[[(3S)-3-[4-(2-methylpropyl)-1H-pyrazol-5-yl]piperidin-1-ium-1-yl]methyl]phenol

Systemtic Name: 4-[[(3S)-3-[4-(2-methylpropyl)-1H-pyrazol-5-yl]piperidin-1-ium-1-yl]methyl]phenol Openeye Name: 4-[[(3S)-3-(4-isobutyl-1H-pyrazol-5-yl)piperidin-1-ium-1-yl]methyl]phenol CAS Name: 4-[[(3S)-3-[4-(2-methylpropyl)-1H-pyrazol-5-yl]-1-piperidin-1-iumyl]methyl]phenol IUPAC Name: 4-[[(3S)-3-[4-(2-methylpropyl)-1H-pyrazol-5-yl]piperidin-1-ium-1-yl]methyl]phenol Traditional Name: 4-[[(3S)-3-(4-isobutyl-1H-pyrazol-5-yl)piperidin-1-ium-1-yl]methyl]phenol Formula: C19H28N3O+ MolecularWeight: 314.44512

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC1=C(NN=C1)C2CCC[NH+](C2)CC3=CC=C(C=C3)O

Isomeric SMILES

CC(C)CC1=C(NN=C1)[C@H]2CCC[NH+](C2)CC3=CC=C(C=C3)O

InChI

InChI=1S/C19H27N3O/c1-14(2)10-17-11-20-21-19(17)16-4-3-9-22(13-16)12-15-5-7-18(23)8-6-15/h5-8,11,14,16,23H,3-4,9-10,12-13H2,1-2H3,(H,20,21)/p+1/t16-/m0/s1