[4-[(4-dimethylaminophenyl)-(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)-oxidanyl-methyl]phenyl]-dimethyl-azanium bromide

Systemtic Name: [4-[(4-dimethylaminophenyl)-(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)-oxidanyl-methyl]phenyl]-dimethyl-azanium bromide Openeye Name: [4-[(4-dimethylaminophenyl)-(1,5-dimethyl-3-oxo-2-phenyl-pyrazol-4-yl)-hydroxy-methyl]phenyl]-dimethyl-ammonium bromide CAS Name: [4-[(4-dimethylaminophenyl)-(1,5-dimethyl-3-oxo-2-phenyl-4-pyrazolyl)-hydroxymethyl]phenyl]-dimethylammonium bromide IUPAC Name: [4-[(4-dimethylaminophenyl)-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-hydroxymethyl]phenyl]-dimethylazanium bromide Traditional Name: [4-[(4-dimethylaminophenyl)-hydroxy-(3-keto-1,5-dimethyl-2-phenyl-3-pyrazolin-4-yl)methyl]phenyl]-dimethyl-ammonium bromide Formula: C28H33BrN4O2 MolecularWeight: 537.49122

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)N(N1C)C2=CC=CC=C2)C(C3=CC=C(C=C3)[NH+](C)C)(C4=CC=C(C=C4)N(C)C)O.[Br-]

Isomeric SMILES

CC1=C(C(=O)N(N1C)C2=CC=CC=C2)C(C3=CC=C(C=C3)[NH+](C)C)(C4=CC=C(C=C4)N(C)C)O.[Br-]

InChI

InChI=1S/C28H32N4O2.BrH/c1-20-26(27(33)32(31(20)6)25-10-8-7-9-11-25)28(34,21-12-16-23(17-13-21)29(2)3)22-14-18-24(19-15-22)30(4)5;/h7-19,34H,1-6H3;1H