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

Systemtic Name: [(2S)-1-azanyl-1-oxidanylidene-3-phenyl-propan-2-yl]-[(4-pyrazol-1-ylphenyl)methyl]azanium Openeye Name: [(1S)-2-amino-1-benzyl-2-oxo-ethyl]-[(4-pyrazol-1-ylphenyl)methyl]ammonium CAS Name: [(2S)-1-amino-1-oxo-3-phenylpropan-2-yl]-[[4-(1-pyrazolyl)phenyl]methyl]ammonium IUPAC Name: [(2S)-1-amino-1-oxo-3-phenylpropan-2-yl]-[(4-pyrazol-1-ylphenyl)methyl]azanium Traditional Name: [(1S)-2-amino-1-benzyl-2-keto-ethyl]-(4-pyrazol-1-ylbenzyl)ammonium Formula: C19H21N4O+ MolecularWeight: 321.39624

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC(C(=O)N)[NH2+]CC2=CC=C(C=C2)N3C=CC=N3

Isomeric SMILES

C1=CC=C(C=C1)C[C@@H](C(=O)N)[NH2+]CC2=CC=C(C=C2)N3C=CC=N3

InChI

InChI=1S/C19H20N4O/c20-19(24)18(13-15-5-2-1-3-6-15)21-14-16-7-9-17(10-8-16)23-12-4-11-22-23/h1-12,18,21H,13-14H2,(H2,20,24)/p+1/t18-/m0/s1