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

Systemtic Name: [4-[bis(4-dimethylaminophenyl)methylidene]cyclohexa-2,5-dien-1-ylidene]-dimethyl-azanium; 2-carboxybenzoate Openeye Name: [4-[bis(4-dimethylaminophenyl)methylene]cyclohexa-2,5-dien-1-ylidene]-dimethyl-ammonium; 2-carboxybenzoate CAS Name: [4-[bis(4-dimethylaminophenyl)methylidene]-1-cyclohexa-2,5-dienylidene]-dimethylammonium; 2-carboxybenzoate IUPAC Name: [4-[bis(4-dimethylaminophenyl)methylidene]cyclohexa-2,5-dien-1-ylidene]-dimethylazanium; 2-carboxybenzoate Traditional Name: [4-[bis(4-dimethylaminophenyl)methylene]cyclohexa-2,5-dien-1-ylidene]-dimethyl-ammonium; 2-carboxybenzoate Formula: C33H35N3O4 MolecularWeight: 537.6487

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H30N3.C8H6O4/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;9-7(10)5-3-1-2-4-6(5)8(11)12/h7-18H,1-6H3;1-4H,(H,9,10)(H,11,12)/q+1;/p-1