dimethyl-[[(4S)-3-methyl-5-oxidanylidene-1-phenyl-4H-pyrazol-4-yl]methyl]azanium

Systemtic Name: dimethyl-[[(4S)-3-methyl-5-oxidanylidene-1-phenyl-4H-pyrazol-4-yl]methyl]azanium Openeye Name: dimethyl-[[(4S)-3-methyl-5-oxo-1-phenyl-4H-pyrazol-4-yl]methyl]ammonium CAS Name: dimethyl-[[(4S)-3-methyl-5-oxo-1-phenyl-4H-pyrazol-4-yl]methyl]ammonium IUPAC Name: dimethyl-[[(4S)-3-methyl-5-oxo-1-phenyl-4H-pyrazol-4-yl]methyl]azanium Traditional Name: [(4S)-5-keto-3-methyl-1-phenyl-2-pyrazolin-4-yl]methyl-dimethyl-ammonium Formula: C13H18N3O+ MolecularWeight: 232.30152

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=O)C1C[NH+](C)C)C2=CC=CC=C2

Isomeric SMILES

CC1=NN(C(=O)[C@H]1C[NH+](C)C)C2=CC=CC=C2

InChI

InChI=1S/C13H17N3O/c1-10-12(9-15(2)3)13(17)16(14-10)11-7-5-4-6-8-11/h4-8,12H,9H2,1-3H3/p+1/t12-/m0/s1