[(4R)-4-chloranyl-3-methyl-5-oxidanylidene-1-phenyl-pyrazol-4-yl]-ethyl-azanium

Systemtic Name: [(4R)-4-chloranyl-3-methyl-5-oxidanylidene-1-phenyl-pyrazol-4-yl]-ethyl-azanium Openeye Name: [(4R)-4-chloro-3-methyl-5-oxo-1-phenyl-pyrazol-4-yl]-ethyl-ammonium CAS Name: [(4R)-4-chloro-3-methyl-5-oxo-1-phenyl-4-pyrazolyl]-ethylammonium IUPAC Name: [(4R)-4-chloro-3-methyl-5-oxo-1-phenylpyrazol-4-yl]-ethylazanium Traditional Name: [(4R)-4-chloro-5-keto-3-methyl-1-phenyl-2-pyrazolin-4-yl]-ethyl-ammonium Formula: C12H15ClN3O+ MolecularWeight: 252.72

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH2+]C1(C(=NN(C1=O)C2=CC=CC=C2)C)Cl

Isomeric SMILES

CC[NH2+][C@]1(C(=NN(C1=O)C2=CC=CC=C2)C)Cl

InChI

InChI=1S/C12H14ClN3O/c1-3-14-12(13)9(2)15-16(11(12)17)10-7-5-4-6-8-10/h4-8,14H,3H2,1-2H3/p+1/t12-/m0/s1