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

Systemtic Name: [5-(3,4-dimethylphenyl)-1H-pyrazol-4-yl]methyl-(2-methyl-1-oxidanyl-propan-2-yl)azanium Openeye Name: [5-(3,4-dimethylphenyl)-1H-pyrazol-4-yl]methyl-(2-hydroxy-1,1-dimethyl-ethyl)ammonium CAS Name: [5-(3,4-dimethylphenyl)-1H-pyrazol-4-yl]methyl-(1-hydroxy-2-methylpropan-2-yl)ammonium IUPAC Name: [5-(3,4-dimethylphenyl)-1H-pyrazol-4-yl]methyl-(1-hydroxy-2-methylpropan-2-yl)azanium Traditional Name: [5-(3,4-dimethylphenyl)-1H-pyrazol-4-yl]methyl-(2-hydroxy-1,1-dimethyl-ethyl)ammonium Formula: C16H24N3O+ MolecularWeight: 274.38126

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C2=C(C=NN2)C[NH2+]C(C)(C)CO)C

Isomeric SMILES

CC1=C(C=C(C=C1)C2=C(C=NN2)C[NH2+]C(C)(C)CO)C

InChI

InChI=1S/C16H23N3O/c1-11-5-6-13(7-12(11)2)15-14(9-18-19-15)8-17-16(3,4)10-20/h5-7,9,17,20H,8,10H2,1-4H3,(H,18,19)/p+1