1-[3-(1H-imidazol-3-ium-3-yl)propyl]-2-methyl-pyridin-1-ium-3,4-diol

Systemtic Name: 1-[3-(1H-imidazol-3-ium-3-yl)propyl]-2-methyl-pyridin-1-ium-3,4-diol Openeye Name: 1-[3-(1H-imidazol-3-ium-3-yl)propyl]-2-methyl-pyridin-1-ium-3,4-diol CAS Name: 1-[3-(1H-imidazol-3-ium-3-yl)propyl]-2-methylpyridin-1-ium-3,4-diol IUPAC Name: 1-[3-(1H-imidazol-3-ium-3-yl)propyl]-2-methylpyridin-1-ium-3,4-diol Traditional Name: 1-[3-(1H-imidazol-3-ium-3-yl)propyl]-2-methyl-pyridin-1-ium-3,4-diol Formula: C12H17N3O2+2 MolecularWeight: 235.28228

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Descriptors Computed from Structure

Canonical SMILES:

CC1=[N+](C=CC(=C1O)O)CCC[N+]2=CNC=C2

Isomeric SMILES

CC1=[N+](C=CC(=C1O)O)CCC[N+]2=CNC=C2

InChI

InChI=1S/C12H15N3O2/c1-10-12(17)11(16)3-7-15(10)6-2-5-14-8-4-13-9-14/h3-4,7-9,17H,2,5-6H2,1H3/p+2