(2S)-3-methyl-2-[(1-methylpyridin-1-ium-2-yl)methyl]-2H-furan-5-one

Systemtic Name: (2S)-3-methyl-2-[(1-methylpyridin-1-ium-2-yl)methyl]-2H-furan-5-one Openeye Name: (2S)-3-methyl-2-[(1-methylpyridin-1-ium-2-yl)methyl]-2H-furan-5-one CAS Name: (2S)-3-methyl-2-[(1-methyl-2-pyridin-1-iumyl)methyl]-2H-furan-5-one IUPAC Name: (2S)-3-methyl-2-[(1-methylpyridin-1-ium-2-yl)methyl]-2H-furan-5-one Traditional Name: (2S)-3-methyl-2-[(1-methylpyridin-1-ium-2-yl)methyl]-2H-furan-5-one Formula: C12H14NO2+ MolecularWeight: 204.24506

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=O)OC1CC2=CC=CC=[N+]2C

Isomeric SMILES

CC1=CC(=O)O[C@H]1CC2=CC=CC=[N+]2C

InChI

InChI=1S/C12H14NO2/c1-9-7-12(14)15-11(9)8-10-5-3-4-6-13(10)2/h3-7,11H,8H2,1-2H3/q+1/t11-/m0/s1