methyl 4-(1H-imidazo[4,5-b]pyridin-4-ium-2-ylsulfonylmethyl)benzoate

Systemtic Name: methyl 4-(1H-imidazo[4,5-b]pyridin-4-ium-2-ylsulfonylmethyl)benzoate Openeye Name: methyl 4-(1H-imidazo[4,5-b]pyridin-4-ium-2-ylsulfonylmethyl)benzoate CAS Name: 4-(1H-imidazo[4,5-b]pyridin-4-ium-2-ylsulfonylmethyl)benzoic acid methyl ester IUPAC Name: methyl 4-(1H-imidazo[4,5-b]pyridin-4-ium-2-ylsulfonylmethyl)benzoate Traditional Name: 4-(1H-imidazo[4,5-b]pyridin-4-ium-2-ylsulfonylmethyl)benzoic acid methyl ester Formula: C15H14N3O4S+ MolecularWeight: 332.35436

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)CS(=O)(=O)C2=NC3=C(N2)C=CC=[NH+]3

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)CS(=O)(=O)C2=NC3=C(N2)C=CC=[NH+]3

InChI

InChI=1S/C15H13N3O4S/c1-22-14(19)11-6-4-10(5-7-11)9-23(20,21)15-17-12-3-2-8-16-13(12)18-15/h2-8H,9H2,1H3,(H,16,17,18)/p+1