1-methyl-4-[[(1-methyl-3-oxidanyl-pyridin-1-ium-4-yl)methylamino]methyl]pyridin-1-ium-3-ol

Systemtic Name: 1-methyl-4-[[(1-methyl-3-oxidanyl-pyridin-1-ium-4-yl)methylamino]methyl]pyridin-1-ium-3-ol Openeye Name: 4-[[(3-hydroxy-1-methyl-pyridin-1-ium-4-yl)methylamino]methyl]-1-methyl-pyridin-1-ium-3-ol CAS Name: 4-[[(3-hydroxy-1-methyl-4-pyridin-1-iumyl)methylamino]methyl]-1-methyl-3-pyridin-1-iumol IUPAC Name: 4-[[(3-hydroxy-1-methylpyridin-1-ium-4-yl)methylamino]methyl]-1-methylpyridin-1-ium-3-ol Traditional Name: 4-[[(3-hydroxy-1-methyl-pyridin-1-ium-4-yl)methylamino]methyl]-1-methyl-pyridin-1-ium-3-ol Formula: C14H19N3O2+2 MolecularWeight: 261.31956

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1=CC(=C(C=C1)CNCC2=C(C=[N+](C=C2)C)O)O

Isomeric SMILES

C[N+]1=CC(=C(C=C1)CNCC2=C(C=[N+](C=C2)C)O)O

InChI

InChI=1S/C14H17N3O2/c1-16-5-3-11(13(18)9-16)7-15-8-12-4-6-17(2)10-14(12)19/h3-6,9-10,15H,7-8H2,1-2H3/p+2