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

Systemtic Name: 4-chloranyl-2-[[(3S)-3-[4-(3-methylphenyl)-1H-pyrazol-5-yl]piperidin-1-ium-1-yl]methyl]phenol Openeye Name: 4-chloro-2-[[(3S)-3-[4-(m-tolyl)-1H-pyrazol-5-yl]piperidin-1-ium-1-yl]methyl]phenol CAS Name: 4-chloro-2-[[(3S)-3-[4-(3-methylphenyl)-1H-pyrazol-5-yl]-1-piperidin-1-iumyl]methyl]phenol IUPAC Name: 4-chloro-2-[[(3S)-3-[4-(3-methylphenyl)-1H-pyrazol-5-yl]piperidin-1-ium-1-yl]methyl]phenol Traditional Name: 4-chloro-2-[[(3S)-3-[4-(m-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=CC(=C1)C2=C(NN=C2)C3CCC[NH+](C3)CC4=C(C=CC(=C4)Cl)O

Isomeric SMILES

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

InChI

InChI=1S/C22H24ClN3O/c1-15-4-2-5-16(10-15)20-12-24-25-22(20)17-6-3-9-26(13-17)14-18-11-19(23)7-8-21(18)27/h2,4-5,7-8,10-12,17,27H,3,6,9,13-14H2,1H3,(H,24,25)/p+1/t17-/m0/s1