4-[cyclohexa-2,5-dien-1-ylidene-(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)methyl]-1,1,5-trimethyl-2-phenyl-pyrazol-1-ium-3-one

Systemtic Name: 4-[cyclohexa-2,5-dien-1-ylidene-(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)methyl]-1,1,5-trimethyl-2-phenyl-pyrazol-1-ium-3-one Openeye Name: 4-[cyclohexa-2,5-dien-1-ylidene-(1,5-dimethyl-3-oxo-2-phenyl-pyrazol-4-yl)methyl]-1,1,5-trimethyl-2-phenyl-pyrazol-1-ium-3-one CAS Name: 4-[1-cyclohexa-2,5-dienylidene-(1,5-dimethyl-3-oxo-2-phenyl-4-pyrazolyl)methyl]-1,1,5-trimethyl-2-phenyl-3-pyrazol-1-iumone IUPAC Name: 4-[cyclohexa-2,5-dien-1-ylidene-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)methyl]-1,1,5-trimethyl-2-phenylpyrazol-1-ium-3-one Traditional Name: 4-[cyclohexa-2,5-dien-1-ylidene-(3-keto-1,5-dimethyl-2-phenyl-3-pyrazolin-4-yl)methyl]-1,1,5-trimethyl-2-phenyl-3-pyrazolin-1-ium-3-one Formula: C30H31N4O2+ MolecularWeight: 479.59274

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)N(N1C)C2=CC=CC=C2)C(=C3C=CCC=C3)C4=C([N+](N(C4=O)C5=CC=CC=C5)(C)C)C

Isomeric SMILES

CC1=C(C(=O)N(N1C)C2=CC=CC=C2)C(=C3C=CCC=C3)C4=C([N+](N(C4=O)C5=CC=CC=C5)(C)C)C

InChI

InChI=1S/C30H31N4O2/c1-21-26(29(35)32(31(21)3)24-17-11-7-12-18-24)28(23-15-9-6-10-16-23)27-22(2)34(4,5)33(30(27)36)25-19-13-8-14-20-25/h7-20H,6H2,1-5H3/q+1