[4-[bis(4-dimethylaminophenyl)methylidene]cyclohexa-2,5-dien-1-ylidene]-dimethyl-azanium ethanoate

Systemtic Name: [4-[bis(4-dimethylaminophenyl)methylidene]cyclohexa-2,5-dien-1-ylidene]-dimethyl-azanium ethanoate Openeye Name: [4-[bis(4-dimethylaminophenyl)methylene]cyclohexa-2,5-dien-1-ylidene]-dimethyl-ammonium acetate CAS Name: [4-[bis(4-dimethylaminophenyl)methylidene]-1-cyclohexa-2,5-dienylidene]-dimethylammonium acetate IUPAC Name: [4-[bis(4-dimethylaminophenyl)methylidene]cyclohexa-2,5-dien-1-ylidene]-dimethylazanium acetate Traditional Name: [4-[bis(4-dimethylaminophenyl)methylene]cyclohexa-2,5-dien-1-ylidene]-dimethyl-ammonium acetate Formula: C27H33N3O2 MolecularWeight: 431.56982

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)[O-].CN(C)C1=CC=C(C=C1)C(=C2C=CC(=[N+](C)C)C=C2)C3=CC=C(C=C3)N(C)C

Isomeric SMILES

CC(=O)[O-].CN(C)C1=CC=C(C=C1)C(=C2C=CC(=[N+](C)C)C=C2)C3=CC=C(C=C3)N(C)C

InChI

InChI=1S/C25H30N3.C2H4O2/c1-26(2)22-13-7-19(8-14-22)25(20-9-15-23(16-10-20)27(3)4)21-11-17-24(18-12-21)28(5)6;1-2(3)4/h7-18H,1-6H3;1H3,(H,3,4)/q+1;/p-1