[(2S)-3-oxidanylidenebutan-2-yl]-[(5R)-3-(3-phenoxyphenyl)-4,5-dihydro-1H-pyrazol-5-yl]azanium

Systemtic Name: [(2S)-3-oxidanylidenebutan-2-yl]-[(5R)-3-(3-phenoxyphenyl)-4,5-dihydro-1H-pyrazol-5-yl]azanium Openeye Name: [(1S)-1-methyl-2-oxo-propyl]-[(5R)-3-(3-phenoxyphenyl)-4,5-dihydro-1H-pyrazol-5-yl]ammonium CAS Name: [(2S)-3-oxobutan-2-yl]-[(5R)-3-(3-phenoxyphenyl)-4,5-dihydro-1H-pyrazol-5-yl]ammonium IUPAC Name: [(2S)-3-oxobutan-2-yl]-[(5R)-3-(3-phenoxyphenyl)-4,5-dihydro-1H-pyrazol-5-yl]azanium Traditional Name: [(1S)-2-keto-1-methyl-propyl]-[(3R)-5-(3-phenoxyphenyl)-2-pyrazolin-3-yl]ammonium Formula: C19H22N3O2+ MolecularWeight: 324.39688

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)C)[NH2+]C1CC(=NN1)C2=CC(=CC=C2)OC3=CC=CC=C3

Isomeric SMILES

C[C@@H](C(=O)C)[NH2+][C@H]1CC(=NN1)C2=CC(=CC=C2)OC3=CC=CC=C3

InChI

InChI=1S/C19H21N3O2/c1-13(14(2)23)20-19-12-18(21-22-19)15-7-6-10-17(11-15)24-16-8-4-3-5-9-16/h3-11,13,19-20,22H,12H2,1-2H3/p+1/t13-,19+/m0/s1