[(2S)-1-azanyl-1-oxidanylidene-propan-2-yl]-[(3-pyrazol-1-ylphenyl)methyl]azanium

Systemtic Name: [(2S)-1-azanyl-1-oxidanylidene-propan-2-yl]-[(3-pyrazol-1-ylphenyl)methyl]azanium Openeye Name: [(1S)-2-amino-1-methyl-2-oxo-ethyl]-[(3-pyrazol-1-ylphenyl)methyl]ammonium CAS Name: [(2S)-1-amino-1-oxopropan-2-yl]-[[3-(1-pyrazolyl)phenyl]methyl]ammonium IUPAC Name: [(2S)-1-amino-1-oxopropan-2-yl]-[(3-pyrazol-1-ylphenyl)methyl]azanium Traditional Name: [(1S)-2-amino-2-keto-1-methyl-ethyl]-(3-pyrazol-1-ylbenzyl)ammonium Formula: C13H17N4O+ MolecularWeight: 245.30028

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H16N4O/c1-10(13(14)18)15-9-11-4-2-5-12(8-11)17-7-3-6-16-17/h2-8,10,15H,9H2,1H3,(H2,14,18)/p+1/t10-/m0/s1