1-methyl-4-[[(1-methyl-3-oxidanidyl-pyridin-1-ium-4-yl)methylamino]methyl]pyridin-1-ium-3-olate

Systemtic Name: 1-methyl-4-[[(1-methyl-3-oxidanidyl-pyridin-1-ium-4-yl)methylamino]methyl]pyridin-1-ium-3-olate Openeye Name: 1-methyl-4-[[(1-methyl-3-oxido-pyridin-1-ium-4-yl)methylamino]methyl]pyridin-1-ium-3-olate CAS Name: 1-methyl-4-[[(1-methyl-3-oxido-4-pyridin-1-iumyl)methylamino]methyl]-3-pyridin-1-iumolate IUPAC Name: 1-methyl-4-[[(1-methyl-3-oxidopyridin-1-ium-4-yl)methylamino]methyl]pyridin-1-ium-3-olate Traditional Name: 1-methyl-4-[[(1-methyl-3-oxido-pyridin-1-ium-4-yl)methylamino]methyl]pyridin-1-ium-3-olate Formula: C14H17N3O2 MolecularWeight: 259.30368

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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