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

Systemtic Name: 3-[[(3S)-3-[4-(4-chlorophenyl)-1H-pyrazol-5-yl]piperidin-1-ium-1-yl]methyl]phenol Openeye Name: 3-[[(3S)-3-[4-(4-chlorophenyl)-1H-pyrazol-5-yl]piperidin-1-ium-1-yl]methyl]phenol CAS Name: 3-[[(3S)-3-[4-(4-chlorophenyl)-1H-pyrazol-5-yl]-1-piperidin-1-iumyl]methyl]phenol IUPAC Name: 3-[[(3S)-3-[4-(4-chlorophenyl)-1H-pyrazol-5-yl]piperidin-1-ium-1-yl]methyl]phenol Traditional Name: 3-[[(3S)-3-[4-(4-chlorophenyl)-1H-pyrazol-5-yl]piperidin-1-ium-1-yl]methyl]phenol Formula: C21H23ClN3O+ MolecularWeight: 368.87982

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(C[NH+](C1)CC2=CC(=CC=C2)O)C3=C(C=NN3)C4=CC=C(C=C4)Cl

Isomeric SMILES

C1C[C@@H](C[NH+](C1)CC2=CC(=CC=C2)O)C3=C(C=NN3)C4=CC=C(C=C4)Cl

InChI

InChI=1S/C21H22ClN3O/c22-18-8-6-16(7-9-18)20-12-23-24-21(20)17-4-2-10-25(14-17)13-15-3-1-5-19(26)11-15/h1,3,5-9,11-12,17,26H,2,4,10,13-14H2,(H,23,24)/p+1/t17-/m0/s1