methyl hydrogen sulfate; 1-methylindeno[1,2-b]pyridin-1-ium-5-one

Systemtic Name: methyl hydrogen sulfate; 1-methylindeno[1,2-b]pyridin-1-ium-5-one Openeye Name: methyl hydrogen sulfate; 1-methylindeno[1,2-b]pyridin-1-ium-5-one CAS Name: 1-methyl-5-indeno[1,2-b]pyridin-1-iumone; sulfuric acid methyl ester IUPAC Name: methyl hydrogen sulfate; 1-methylindeno[1,2-b]pyridin-1-ium-5-one Traditional Name: 1-methylindeno[1,2-b]pyridin-1-ium-5-one; sulfuric acid methyl ester Formula: C14H14NO5S+ MolecularWeight: 308.32966

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1=CC=CC2=C1C3=CC=CC=C3C2=O.COS(=O)(=O)O

Isomeric SMILES

C[N+]1=CC=CC2=C1C3=CC=CC=C3C2=O.COS(=O)(=O)O

InChI

InChI=1S/C13H10NO.CH4O4S/c1-14-8-4-7-11-12(14)9-5-2-3-6-10(9)13(11)15;1-5-6(2,3)4/h2-8H,1H3;1H3,(H,2,3,4)/q+1;