ethyl 5-methyl-4-methylsulfonyl-1-oxidanylidene-5aH-pyrido[1,2-a]benzimidazol-10-ium-2-carboxylate

Systemtic Name: ethyl 5-methyl-4-methylsulfonyl-1-oxidanylidene-5aH-pyrido[1,2-a]benzimidazol-10-ium-2-carboxylate Openeye Name: ethyl 5-methyl-4-methylsulfonyl-1-oxo-5aH-pyrido[1,2-a]benzimidazol-10-ium-2-carboxylate CAS Name: 5-methyl-4-methylsulfonyl-1-oxo-5aH-pyrido[1,2-a]benzimidazol-10-ium-2-carboxylic acid ethyl ester IUPAC Name: ethyl 5-methyl-4-methylsulfonyl-1-oxo-5aH-pyrido[1,2-a]benzimidazol-10-ium-2-carboxylate Traditional Name: 1-keto-4-mesyl-5-methyl-5aH-pyrido[1,2-a]benzimidazol-10-ium-2-carboxylic acid ethyl ester Formula: C16H17N2O5S+ MolecularWeight: 349.38158

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC(=C2N(C3C=CC=CC3=[N+]2C1=O)C)S(=O)(=O)C

Isomeric SMILES

CCOC(=O)C1=CC(=C2N(C3C=CC=CC3=[N+]2C1=O)C)S(=O)(=O)C

InChI

InChI=1S/C16H17N2O5S/c1-4-23-16(20)10-9-13(24(3,21)22)14-17(2)11-7-5-6-8-12(11)18(14)15(10)19/h5-9,11H,4H2,1-3H3/q+1