(3S)-1-[[3-(3-methylphenyl)-1-(4-methylphenyl)pyrazol-4-yl]methyl]piperidin-1-ium-3-ol

Systemtic Name: (3S)-1-[[3-(3-methylphenyl)-1-(4-methylphenyl)pyrazol-4-yl]methyl]piperidin-1-ium-3-ol Openeye Name: (3S)-1-[[3-(m-tolyl)-1-(p-tolyl)pyrazol-4-yl]methyl]piperidin-1-ium-3-ol CAS Name: (3S)-1-[[3-(3-methylphenyl)-1-(4-methylphenyl)-4-pyrazolyl]methyl]-3-piperidin-1-iumol IUPAC Name: (3S)-1-[[3-(3-methylphenyl)-1-(4-methylphenyl)pyrazol-4-yl]methyl]piperidin-1-ium-3-ol Traditional Name: (3S)-1-[[3-(m-tolyl)-1-(p-tolyl)pyrazol-4-yl]methyl]piperidin-1-ium-3-ol Formula: C23H28N3O+ MolecularWeight: 362.48792

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N2C=C(C(=N2)C3=CC(=CC=C3)C)C[NH+]4CCCC(C4)O

Isomeric SMILES

CC1=CC=C(C=C1)N2C=C(C(=N2)C3=CC(=CC=C3)C)C[NH+]4CCC[C@@H](C4)O

InChI

InChI=1S/C23H27N3O/c1-17-8-10-21(11-9-17)26-15-20(14-25-12-4-7-22(27)16-25)23(24-26)19-6-3-5-18(2)13-19/h3,5-6,8-11,13,15,22,27H,4,7,12,14,16H2,1-2H3/p+1/t22-/m0/s1