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

Systemtic Name: [(2S)-1-azanyl-1-oxidanylidene-propan-2-yl]-[[3-(3,5-dimethylpyrazol-1-yl)phenyl]methyl]azanium Openeye Name: [(1S)-2-amino-1-methyl-2-oxo-ethyl]-[[3-(3,5-dimethylpyrazol-1-yl)phenyl]methyl]ammonium CAS Name: [(2S)-1-amino-1-oxopropan-2-yl]-[[3-(3,5-dimethyl-1-pyrazolyl)phenyl]methyl]ammonium IUPAC Name: [(2S)-1-amino-1-oxopropan-2-yl]-[[3-(3,5-dimethylpyrazol-1-yl)phenyl]methyl]azanium Traditional Name: [(1S)-2-amino-2-keto-1-methyl-ethyl]-[3-(3,5-dimethylpyrazol-1-yl)benzyl]ammonium Formula: C15H21N4O+ MolecularWeight: 273.35344

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NN1C2=CC=CC(=C2)C[NH2+]C(C)C(=O)N)C

Isomeric SMILES

CC1=CC(=NN1C2=CC=CC(=C2)C[NH2+][C@@H](C)C(=O)N)C

InChI

InChI=1S/C15H20N4O/c1-10-7-11(2)19(18-10)14-6-4-5-13(8-14)9-17-12(3)15(16)20/h4-8,12,17H,9H2,1-3H3,(H2,16,20)/p+1/t12-/m0/s1