1-methyl-4-(1-methylpyridin-1-ium-4-yl)pyridin-1-ium dichloride trihydrate

Systemtic Name: 1-methyl-4-(1-methylpyridin-1-ium-4-yl)pyridin-1-ium dichloride trihydrate Openeye Name: 1-methyl-4-(1-methylpyridin-1-ium-4-yl)pyridin-1-ium dichloride trihydrate CAS Name: 1-methyl-4-(1-methyl-4-pyridin-1-iumyl)pyridin-1-ium dichloride trihydrate IUPAC Name: 1-methyl-4-(1-methylpyridin-1-ium-4-yl)pyridin-1-ium dichloride trihydrate Traditional Name: 1-methyl-4-(1-methylpyridin-1-ium-4-yl)pyridin-1-ium dichloride trihydrate Formula: C12H20Cl2N2O3 MolecularWeight: 311.2048

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H14N2.2ClH.3H2O/c1-13-7-3-11(4-8-13)12-5-9-14(2)10-6-12;;;;;/h3-10H,1-2H3;2*1H;3*1H2/q+2;;;;;/p-2