[1-(2,5-dimethylphenyl)-3-phenyl-pyrazol-4-yl]methyl-bis(2-hydroxyethyl)azanium

Systemtic Name: [1-(2,5-dimethylphenyl)-3-phenyl-pyrazol-4-yl]methyl-bis(2-hydroxyethyl)azanium Openeye Name: [1-(2,5-dimethylphenyl)-3-phenyl-pyrazol-4-yl]methyl-bis(2-hydroxyethyl)ammonium CAS Name: [1-(2,5-dimethylphenyl)-3-phenyl-4-pyrazolyl]methyl-bis(2-hydroxyethyl)ammonium IUPAC Name: [1-(2,5-dimethylphenyl)-3-phenylpyrazol-4-yl]methyl-bis(2-hydroxyethyl)azanium Traditional Name: [1-(2,5-dimethylphenyl)-3-phenyl-pyrazol-4-yl]methyl-bis(2-hydroxyethyl)ammonium Formula: C22H28N3O2+ MolecularWeight: 366.47662

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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+](CCO)CCO

Isomeric SMILES

CC1=CC(=C(C=C1)C)N2C=C(C(=N2)C3=CC=CC=C3)C[NH+](CCO)CCO

InChI

InChI=1S/C22H27N3O2/c1-17-8-9-18(2)21(14-17)25-16-20(15-24(10-12-26)11-13-27)22(23-25)19-6-4-3-5-7-19/h3-9,14,16,26-27H,10-13,15H2,1-2H3/p+1