4-[bis(4-dimethylaminophenyl)methylidene]-1,5-dimethyl-2-phenyl-pyrazol-1-ium-3-one chloride

Systemtic Name: 4-[bis(4-dimethylaminophenyl)methylidene]-1,5-dimethyl-2-phenyl-pyrazol-1-ium-3-one chloride Openeye Name: 4-[bis(4-dimethylaminophenyl)methylene]-1,5-dimethyl-2-phenyl-pyrazol-1-ium-3-one chloride CAS Name: 4-[bis(4-dimethylaminophenyl)methylidene]-1,5-dimethyl-2-phenyl-3-pyrazol-1-iumone chloride IUPAC Name: 4-[bis(4-dimethylaminophenyl)methylidene]-1,5-dimethyl-2-phenylpyrazol-1-ium-3-one chloride Traditional Name: 4-[bis(4-dimethylaminophenyl)methylene]-1,5-dimethyl-2-phenyl-2-pyrazolin-1-ium-3-one chloride Formula: C28H31ClN4O MolecularWeight: 475.02494

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Descriptors Computed from Structure

Canonical SMILES:

CC1=[N+](N(C(=O)C1=C(C2=CC=C(C=C2)N(C)C)C3=CC=C(C=C3)N(C)C)C4=CC=CC=C4)C.[Cl-]

Isomeric SMILES

CC1=[N+](N(C(=O)C1=C(C2=CC=C(C=C2)N(C)C)C3=CC=C(C=C3)N(C)C)C4=CC=CC=C4)C.[Cl-]

InChI

InChI=1S/C28H31N4O.ClH/c1-20-26(28(33)32(31(20)6)25-10-8-7-9-11-25)27(21-12-16-23(17-13-21)29(2)3)22-14-18-24(19-15-22)30(4)5;/h7-19H,1-6H3;1H/q+1;/p-1