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

Systemtic Name: [(2S)-1-azanyl-1-oxidanylidene-propan-2-yl]-[[3-(3-methoxyphenyl)-1-phenyl-pyrazol-4-yl]methyl]azanium Openeye Name: [(1S)-2-amino-1-methyl-2-oxo-ethyl]-[[3-(3-methoxyphenyl)-1-phenyl-pyrazol-4-yl]methyl]ammonium CAS Name: [(2S)-1-amino-1-oxopropan-2-yl]-[[3-(3-methoxyphenyl)-1-phenyl-4-pyrazolyl]methyl]ammonium IUPAC Name: [(2S)-1-amino-1-oxopropan-2-yl]-[[3-(3-methoxyphenyl)-1-phenylpyrazol-4-yl]methyl]azanium Traditional Name: [(1S)-2-amino-2-keto-1-methyl-ethyl]-[[3-(3-methoxyphenyl)-1-phenyl-pyrazol-4-yl]methyl]ammonium Formula: C20H23N4O2+ MolecularWeight: 351.42222

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N)[NH2+]CC1=CN(N=C1C2=CC(=CC=C2)OC)C3=CC=CC=C3

Isomeric SMILES

C[C@@H](C(=O)N)[NH2+]CC1=CN(N=C1C2=CC(=CC=C2)OC)C3=CC=CC=C3

InChI

InChI=1S/C20H22N4O2/c1-14(20(21)25)22-12-16-13-24(17-8-4-3-5-9-17)23-19(16)15-7-6-10-18(11-15)26-2/h3-11,13-14,22H,12H2,1-2H3,(H2,21,25)/p+1/t14-/m0/s1