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

Systemtic Name: 4-[cyclohexa-2,5-dien-1-ylidene-(3-methylphenyl)methyl]-1,1,5-trimethyl-2-phenyl-pyrazol-1-ium-3-one Openeye Name: 4-[cyclohexa-2,5-dien-1-ylidene(m-tolyl)methyl]-1,1,5-trimethyl-2-phenyl-pyrazol-1-ium-3-one CAS Name: 4-[1-cyclohexa-2,5-dienylidene-(3-methylphenyl)methyl]-1,1,5-trimethyl-2-phenyl-3-pyrazol-1-iumone IUPAC Name: 4-[cyclohexa-2,5-dien-1-ylidene-(3-methylphenyl)methyl]-1,1,5-trimethyl-2-phenylpyrazol-1-ium-3-one Traditional Name: 4-[cyclohexa-2,5-dien-1-ylidene(m-tolyl)methyl]-1,1,5-trimethyl-2-phenyl-3-pyrazolin-1-ium-3-one Formula: C26H27N2O+ MolecularWeight: 383.50538

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1)C(=C2C=CCC=C2)C3=C([N+](N(C3=O)C4=CC=CC=C4)(C)C)C

Isomeric SMILES

CC1=CC=CC(=C1)C(=C2C=CCC=C2)C3=C([N+](N(C3=O)C4=CC=CC=C4)(C)C)C

InChI

InChI=1S/C26H27N2O/c1-19-12-11-15-22(18-19)25(21-13-7-5-8-14-21)24-20(2)28(3,4)27(26(24)29)23-16-9-6-10-17-23/h6-18H,5H2,1-4H3/q+1