1-[4-(3-oxidanylpyridin-1-ium-1-yl)butyl]pyridin-1-ium-3-ol dichloride

Systemtic Name: 1-[4-(3-oxidanylpyridin-1-ium-1-yl)butyl]pyridin-1-ium-3-ol dichloride Openeye Name: 1-[4-(3-hydroxypyridin-1-ium-1-yl)butyl]pyridin-1-ium-3-ol dichloride CAS Name: 1-[4-(3-hydroxy-1-pyridin-1-iumyl)butyl]-3-pyridin-1-iumol dichloride IUPAC Name: 1-[4-(3-hydroxypyridin-1-ium-1-yl)butyl]pyridin-1-ium-3-ol dichloride Traditional Name: 1-[4-(3-hydroxypyridin-1-ium-1-yl)butyl]pyridin-1-ium-3-ol dichloride Formula: C14H18Cl2N2O2 MolecularWeight: 317.21092

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C[N+](=C1)CCCC[N+]2=CC=CC(=C2)O)O.[Cl-].[Cl-]

Isomeric SMILES

C1=CC(=C[N+](=C1)CCCC[N+]2=CC=CC(=C2)O)O.[Cl-].[Cl-]

InChI

InChI=1S/C14H16N2O2.2ClH/c17-13-5-3-9-15(11-13)7-1-2-8-16-10-4-6-14(18)12-16;;/h3-6,9-12H,1-2,7-8H2;2*1H