1-[[1-(2,5-dimethylphenyl)-3-phenyl-pyrazol-4-yl]methyl]piperidin-1-ium-4-ol

Systemtic Name: 1-[[1-(2,5-dimethylphenyl)-3-phenyl-pyrazol-4-yl]methyl]piperidin-1-ium-4-ol Openeye Name: 1-[[1-(2,5-dimethylphenyl)-3-phenyl-pyrazol-4-yl]methyl]piperidin-1-ium-4-ol CAS Name: 1-[[1-(2,5-dimethylphenyl)-3-phenyl-4-pyrazolyl]methyl]-4-piperidin-1-iumol IUPAC Name: 1-[[1-(2,5-dimethylphenyl)-3-phenylpyrazol-4-yl]methyl]piperidin-1-ium-4-ol Traditional Name: 1-[[1-(2,5-dimethylphenyl)-3-phenyl-pyrazol-4-yl]methyl]piperidin-1-ium-4-ol Formula: C23H28N3O+ MolecularWeight: 362.48792

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)N2C=C(C(=N2)C3=CC=CC=C3)C[NH+]4CCC(CC4)O

Isomeric SMILES

CC1=CC(=C(C=C1)C)N2C=C(C(=N2)C3=CC=CC=C3)C[NH+]4CCC(CC4)O

InChI

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