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

Systemtic Name: 2-[[4-[4-(3-methylphenyl)-1H-pyrazol-5-yl]piperidin-1-ium-1-yl]methyl]phenol Openeye Name: 2-[[4-[4-(m-tolyl)-1H-pyrazol-5-yl]piperidin-1-ium-1-yl]methyl]phenol CAS Name: 2-[[4-[4-(3-methylphenyl)-1H-pyrazol-5-yl]-1-piperidin-1-iumyl]methyl]phenol IUPAC Name: 2-[[4-[4-(3-methylphenyl)-1H-pyrazol-5-yl]piperidin-1-ium-1-yl]methyl]phenol Traditional Name: 2-[[4-[4-(m-tolyl)-1H-pyrazol-5-yl]piperidin-1-ium-1-yl]methyl]phenol Formula: C22H26N3O+ MolecularWeight: 348.46134

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1)C2=C(NN=C2)C3CC[NH+](CC3)CC4=CC=CC=C4O

Isomeric SMILES

CC1=CC=CC(=C1)C2=C(NN=C2)C3CC[NH+](CC3)CC4=CC=CC=C4O

InChI

InChI=1S/C22H25N3O/c1-16-5-4-7-18(13-16)20-14-23-24-22(20)17-9-11-25(12-10-17)15-19-6-2-3-8-21(19)26/h2-8,13-14,17,26H,9-12,15H2,1H3,(H,23,24)/p+1