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

Systemtic Name: 4-[(3-bromophenyl)-cyclohexa-2,5-dien-1-ylidene-methyl]-1,1,5-trimethyl-2-phenyl-pyrazol-1-ium-3-one Openeye Name: 4-[(3-bromophenyl)-cyclohexa-2,5-dien-1-ylidene-methyl]-1,1,5-trimethyl-2-phenyl-pyrazol-1-ium-3-one CAS Name: 4-[(3-bromophenyl)-(1-cyclohexa-2,5-dienylidene)methyl]-1,1,5-trimethyl-2-phenyl-3-pyrazol-1-iumone IUPAC Name: 4-[(3-bromophenyl)-cyclohexa-2,5-dien-1-ylidenemethyl]-1,1,5-trimethyl-2-phenylpyrazol-1-ium-3-one Traditional Name: 4-[(3-bromophenyl)-cyclohexa-2,5-dien-1-ylidene-methyl]-1,1,5-trimethyl-2-phenyl-3-pyrazolin-1-ium-3-one Formula: C25H24BrN2O+ MolecularWeight: 448.37486

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)N([N+]1(C)C)C2=CC=CC=C2)C(=C3C=CCC=C3)C4=CC(=CC=C4)Br

Isomeric SMILES

CC1=C(C(=O)N([N+]1(C)C)C2=CC=CC=C2)C(=C3C=CCC=C3)C4=CC(=CC=C4)Br

InChI

InChI=1S/C25H24BrN2O/c1-18-23(25(29)27(28(18,2)3)22-15-8-5-9-16-22)24(19-11-6-4-7-12-19)20-13-10-14-21(26)17-20/h5-17H,4H2,1-3H3/q+1