methyl 5-[3-azanyl-4-(methoxymethyl)-6-methyl-thieno[2,3-b]pyridin-7-ium-2-yl]furan-2-carboxylate

Systemtic Name: methyl 5-[3-azanyl-4-(methoxymethyl)-6-methyl-thieno[2,3-b]pyridin-7-ium-2-yl]furan-2-carboxylate Openeye Name: methyl 5-[3-amino-4-(methoxymethyl)-6-methyl-thieno[2,3-b]pyridin-7-ium-2-yl]furan-2-carboxylate CAS Name: 5-[3-amino-4-(methoxymethyl)-6-methyl-2-thieno[2,3-b]pyridin-7-iumyl]-2-furancarboxylic acid methyl ester IUPAC Name: methyl 5-[3-amino-4-(methoxymethyl)-6-methylthieno[2,3-b]pyridin-7-ium-2-yl]furan-2-carboxylate Traditional Name: 5-[3-amino-4-(methoxymethyl)-6-methyl-thieno[2,3-b]pyridin-7-ium-2-yl]furan-2-carboxylic acid methyl ester Formula: C16H17N2O4S+ MolecularWeight: 333.38218

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Descriptors Computed from Structure

Canonical SMILES:

CC1=[NH+]C2=C(C(=C1)COC)C(=C(S2)C3=CC=C(O3)C(=O)OC)N

Isomeric SMILES

CC1=[NH+]C2=C(C(=C1)COC)C(=C(S2)C3=CC=C(O3)C(=O)OC)N

InChI

InChI=1S/C16H16N2O4S/c1-8-6-9(7-20-2)12-13(17)14(23-15(12)18-8)10-4-5-11(22-10)16(19)21-3/h4-6H,7,17H2,1-3H3/p+1