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

Systemtic Name: [(2S)-1-azanyl-1-oxidanylidene-propan-2-yl]-[[3-(pyrazol-1-ylmethyl)phenyl]methyl]azanium Openeye Name: [(1S)-2-amino-1-methyl-2-oxo-ethyl]-[[3-(pyrazol-1-ylmethyl)phenyl]methyl]ammonium CAS Name: [(2S)-1-amino-1-oxopropan-2-yl]-[[3-(1-pyrazolylmethyl)phenyl]methyl]ammonium IUPAC Name: [(2S)-1-amino-1-oxopropan-2-yl]-[[3-(pyrazol-1-ylmethyl)phenyl]methyl]azanium Traditional Name: [(1S)-2-amino-2-keto-1-methyl-ethyl]-[3-(pyrazol-1-ylmethyl)benzyl]ammonium Formula: C14H19N4O+ MolecularWeight: 259.32686

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N)[NH2+]CC1=CC=CC(=C1)CN2C=CC=N2

Isomeric SMILES

C[C@@H](C(=O)N)[NH2+]CC1=CC=CC(=C1)CN2C=CC=N2

InChI

InChI=1S/C14H18N4O/c1-11(14(15)19)16-9-12-4-2-5-13(8-12)10-18-7-3-6-17-18/h2-8,11,16H,9-10H2,1H3,(H2,15,19)/p+1/t11-/m0/s1