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

Systemtic Name: 2-[[(3S)-3-[4-(4-chlorophenyl)-1H-pyrazol-5-yl]piperidin-1-ium-1-yl]methyl]phenol Openeye Name: 2-[[(3S)-3-[4-(4-chlorophenyl)-1H-pyrazol-5-yl]piperidin-1-ium-1-yl]methyl]phenol CAS Name: 2-[[(3S)-3-[4-(4-chlorophenyl)-1H-pyrazol-5-yl]-1-piperidin-1-iumyl]methyl]phenol IUPAC Name: 2-[[(3S)-3-[4-(4-chlorophenyl)-1H-pyrazol-5-yl]piperidin-1-ium-1-yl]methyl]phenol Traditional Name: 2-[[(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=C2O)C3=C(C=NN3)C4=CC=C(C=C4)Cl

Isomeric SMILES

C1C[C@@H](C[NH+](C1)CC2=CC=CC=C2O)C3=C(C=NN3)C4=CC=C(C=C4)Cl

InChI

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