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

Systemtic Name: [5-(3,4-dimethylphenyl)-1H-pyrazol-4-yl]methyl-(2-hydroxyethyl)-(phenylmethyl)azanium Openeye Name: benzyl-[[5-(3,4-dimethylphenyl)-1H-pyrazol-4-yl]methyl]-(2-hydroxyethyl)ammonium CAS Name: [5-(3,4-dimethylphenyl)-1H-pyrazol-4-yl]methyl-(2-hydroxyethyl)-(phenylmethyl)ammonium IUPAC Name: benzyl-[[5-(3,4-dimethylphenyl)-1H-pyrazol-4-yl]methyl]-(2-hydroxyethyl)azanium Traditional Name: benzyl-[[5-(3,4-dimethylphenyl)-1H-pyrazol-4-yl]methyl]-(2-hydroxyethyl)ammonium Formula: C21H26N3O+ MolecularWeight: 336.45064

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C2=C(C=NN2)C[NH+](CCO)CC3=CC=CC=C3)C

Isomeric SMILES

CC1=C(C=C(C=C1)C2=C(C=NN2)C[NH+](CCO)CC3=CC=CC=C3)C

InChI

InChI=1S/C21H25N3O/c1-16-8-9-19(12-17(16)2)21-20(13-22-23-21)15-24(10-11-25)14-18-6-4-3-5-7-18/h3-9,12-13,25H,10-11,14-15H2,1-2H3,(H,22,23)/p+1