1-[bis(1,2-dimethylpyridin-1-ium-4-yl)methylidene]-3-methyl-4-methylidene-pyridin-1-ium phosphate

Systemtic Name: 1-[bis(1,2-dimethylpyridin-1-ium-4-yl)methylidene]-3-methyl-4-methylidene-pyridin-1-ium phosphate Openeye Name: 1-[bis(1,2-dimethylpyridin-1-ium-4-yl)methylene]-3-methyl-4-methylene-pyridin-1-ium phosphate CAS Name: 1-[bis(1,2-dimethyl-4-pyridin-1-iumyl)methylidene]-3-methyl-4-methylenepyridin-1-ium phosphate IUPAC Name: 1-[bis(1,2-dimethylpyridin-1-ium-4-yl)methylidene]-3-methyl-4-methylidenepyridin-1-ium phosphate Traditional Name: 1-[bis(1,2-dimethylpyridin-1-ium-4-yl)methylene]-3-methyl-4-methylene-pyridin-1-ium phosphate Formula: C22H26N3O4P MolecularWeight: 427.433301

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Descriptors Computed from Structure

Canonical SMILES:

CC1=[N+](C=CC(=C1)C(=[N+]2C=CC(=C)C(=C2)C)C3=CC(=[N+](C=C3)C)C)C.[O-]P(=O)([O-])[O-]

Isomeric SMILES

CC1=[N+](C=CC(=C1)C(=[N+]2C=CC(=C)C(=C2)C)C3=CC(=[N+](C=C3)C)C)C.[O-]P(=O)([O-])[O-]

InChI

InChI=1S/C22H26N3.H3O4P/c1-16-7-12-25(15-17(16)2)22(20-8-10-23(5)18(3)13-20)21-9-11-24(6)19(4)14-21;1-5(2,3)4/h7-15H,1H2,2-6H3;(H3,1,2,3,4)/q+3;/p-3