[(2S)-1-azanyl-1-oxidanylidene-propan-2-yl]-[[1-(2,5-dimethylphenyl)-3-phenyl-pyrazol-4-yl]methyl]azanium

Systemtic Name: [(2S)-1-azanyl-1-oxidanylidene-propan-2-yl]-[[1-(2,5-dimethylphenyl)-3-phenyl-pyrazol-4-yl]methyl]azanium Openeye Name: [(1S)-2-amino-1-methyl-2-oxo-ethyl]-[[1-(2,5-dimethylphenyl)-3-phenyl-pyrazol-4-yl]methyl]ammonium CAS Name: [(2S)-1-amino-1-oxopropan-2-yl]-[[1-(2,5-dimethylphenyl)-3-phenyl-4-pyrazolyl]methyl]ammonium IUPAC Name: [(2S)-1-amino-1-oxopropan-2-yl]-[[1-(2,5-dimethylphenyl)-3-phenylpyrazol-4-yl]methyl]azanium Traditional Name: [(1S)-2-amino-2-keto-1-methyl-ethyl]-[[1-(2,5-dimethylphenyl)-3-phenyl-pyrazol-4-yl]methyl]ammonium Formula: C21H25N4O+ MolecularWeight: 349.4494

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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[NH2+]C(C)C(=O)N

Isomeric SMILES

CC1=CC(=C(C=C1)C)N2C=C(C(=N2)C3=CC=CC=C3)C[NH2+][C@@H](C)C(=O)N

InChI

InChI=1S/C21H24N4O/c1-14-9-10-15(2)19(11-14)25-13-18(12-23-16(3)21(22)26)20(24-25)17-7-5-4-6-8-17/h4-11,13,16,23H,12H2,1-3H3,(H2,22,26)/p+1/t16-/m0/s1