1-methyl-4-(1-methylpyridin-1-ium-4-yl)pyridin-1-ium; 2-oxidanidylbenzoate; sodium

Systemtic Name: 1-methyl-4-(1-methylpyridin-1-ium-4-yl)pyridin-1-ium; 2-oxidanidylbenzoate; sodium Openeye Name: 1-methyl-4-(1-methylpyridin-1-ium-4-yl)pyridin-1-ium; 2-oxidobenzoate; sodium CAS Name: 1-methyl-4-(1-methyl-4-pyridin-1-iumyl)pyridin-1-ium; 2-oxidobenzoate; sodium IUPAC Name: 1-methyl-4-(1-methylpyridin-1-ium-4-yl)pyridin-1-ium; 2-oxidobenzoate; sodium Traditional Name: 1-methyl-4-(1-methylpyridin-1-ium-4-yl)pyridin-1-ium; 2-oxidobenzoate; sodium Formula: C19H18N2NaO3 MolecularWeight: 345.34759

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1=CC=C(C=C1)C2=CC=[N+](C=C2)C.C1=CC=C(C(=C1)C(=O)[O-])[O-].[Na]

Isomeric SMILES

C[N+]1=CC=C(C=C1)C2=CC=[N+](C=C2)C.C1=CC=C(C(=C1)C(=O)[O-])[O-].[Na]

InChI

InChI=1S/C12H14N2.C7H6O3.Na/c1-13-7-3-11(4-8-13)12-5-9-14(2)10-6-12;8-6-4-2-1-3-5(6)7(9)10;/h3-10H,1-2H3;1-4,8H,(H,9,10);/q+2;;/p-2