1-methyl-4-(1-methylpyridin-1-ium-4-yl)pyridin-1-ium chloride hydrate

Systemtic Name: 1-methyl-4-(1-methylpyridin-1-ium-4-yl)pyridin-1-ium chloride hydrate Openeye Name: 1-methyl-4-(1-methylpyridin-1-ium-4-yl)pyridin-1-ium chloride hydrate CAS Name: 1-methyl-4-(1-methyl-4-pyridin-1-iumyl)pyridin-1-ium chloride hydrate IUPAC Name: 1-methyl-4-(1-methylpyridin-1-ium-4-yl)pyridin-1-ium chloride hydrate Traditional Name: 1-methyl-4-(1-methylpyridin-1-ium-4-yl)pyridin-1-ium chloride hydrate Formula: C12H16ClN2O+ MolecularWeight: 239.72124

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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