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

Systemtic Name: 2-chloranyl-4-[[(3S)-3-[4-(2-methylpropyl)-1H-pyrazol-5-yl]piperidin-1-ium-1-yl]methyl]phenol Openeye Name: 2-chloro-4-[[(3S)-3-(4-isobutyl-1H-pyrazol-5-yl)piperidin-1-ium-1-yl]methyl]phenol CAS Name: 2-chloro-4-[[(3S)-3-[4-(2-methylpropyl)-1H-pyrazol-5-yl]-1-piperidin-1-iumyl]methyl]phenol IUPAC Name: 2-chloro-4-[[(3S)-3-[4-(2-methylpropyl)-1H-pyrazol-5-yl]piperidin-1-ium-1-yl]methyl]phenol Traditional Name: 2-chloro-4-[[(3S)-3-(4-isobutyl-1H-pyrazol-5-yl)piperidin-1-ium-1-yl]methyl]phenol Formula: C19H27ClN3O+ MolecularWeight: 348.89018

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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)Cl

Isomeric SMILES

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

InChI

InChI=1S/C19H26ClN3O/c1-13(2)8-16-10-21-22-19(16)15-4-3-7-23(12-15)11-14-5-6-18(24)17(20)9-14/h5-6,9-10,13,15,24H,3-4,7-8,11-12H2,1-2H3,(H,21,22)/p+1/t15-/m0/s1