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

Systemtic Name: 4-chloranyl-2-[[(3S)-3-[4-(4-methylphenyl)-1H-pyrazol-5-yl]piperidin-1-ium-1-yl]methyl]phenol Openeye Name: 4-chloro-2-[[(3S)-3-[4-(p-tolyl)-1H-pyrazol-5-yl]piperidin-1-ium-1-yl]methyl]phenol CAS Name: 4-chloro-2-[[(3S)-3-[4-(4-methylphenyl)-1H-pyrazol-5-yl]-1-piperidin-1-iumyl]methyl]phenol IUPAC Name: 4-chloro-2-[[(3S)-3-[4-(4-methylphenyl)-1H-pyrazol-5-yl]piperidin-1-ium-1-yl]methyl]phenol Traditional Name: 4-chloro-2-[[(3S)-3-[4-(p-tolyl)-1H-pyrazol-5-yl]piperidin-1-ium-1-yl]methyl]phenol Formula: C22H25ClN3O+ MolecularWeight: 382.9064

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=C(NN=C2)C3CCC[NH+](C3)CC4=C(C=CC(=C4)Cl)O

Isomeric SMILES

CC1=CC=C(C=C1)C2=C(NN=C2)[C@H]3CCC[NH+](C3)CC4=C(C=CC(=C4)Cl)O

InChI

InChI=1S/C22H24ClN3O/c1-15-4-6-16(7-5-15)20-12-24-25-22(20)17-3-2-10-26(13-17)14-18-11-19(23)8-9-21(18)27/h4-9,11-12,17,27H,2-3,10,13-14H2,1H3,(H,24,25)/p+1/t17-/m0/s1