(2-azanyl-2-oxidanylidene-ethyl)-[[3-(3,4-dimethylphenyl)-1-phenyl-pyrazol-4-yl]methyl]-methyl-azanium

Systemtic Name: (2-azanyl-2-oxidanylidene-ethyl)-[[3-(3,4-dimethylphenyl)-1-phenyl-pyrazol-4-yl]methyl]-methyl-azanium Openeye Name: (2-amino-2-oxo-ethyl)-[[3-(3,4-dimethylphenyl)-1-phenyl-pyrazol-4-yl]methyl]-methyl-ammonium CAS Name: (2-amino-2-oxoethyl)-[[3-(3,4-dimethylphenyl)-1-phenyl-4-pyrazolyl]methyl]-methylammonium IUPAC Name: (2-amino-2-oxoethyl)-[[3-(3,4-dimethylphenyl)-1-phenylpyrazol-4-yl]methyl]-methylazanium Traditional Name: (2-amino-2-keto-ethyl)-[[3-(3,4-dimethylphenyl)-1-phenyl-pyrazol-4-yl]methyl]-methyl-ammonium Formula: C21H25N4O+ MolecularWeight: 349.4494

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C2=NN(C=C2C[NH+](C)CC(=O)N)C3=CC=CC=C3)C

Isomeric SMILES

CC1=C(C=C(C=C1)C2=NN(C=C2C[NH+](C)CC(=O)N)C3=CC=CC=C3)C

InChI

InChI=1S/C21H24N4O/c1-15-9-10-17(11-16(15)2)21-18(12-24(3)14-20(22)26)13-25(23-21)19-7-5-4-6-8-19/h4-11,13H,12,14H2,1-3H3,(H2,22,26)/p+1