(6-chloranylpyridin-3-yl)methyl 3-azanyl-4,6-dimethyl-thieno[2,3-b]pyridin-7-ium-2-carboxylate

Systemtic Name: (6-chloranylpyridin-3-yl)methyl 3-azanyl-4,6-dimethyl-thieno[2,3-b]pyridin-7-ium-2-carboxylate Openeye Name: (6-chloro-3-pyridyl)methyl 3-amino-4,6-dimethyl-thieno[2,3-b]pyridin-7-ium-2-carboxylate CAS Name: 3-amino-4,6-dimethyl-2-thieno[2,3-b]pyridin-7-iumcarboxylic acid (6-chloro-3-pyridinyl)methyl ester IUPAC Name: (6-chloropyridin-3-yl)methyl 3-amino-4,6-dimethylthieno[2,3-b]pyridin-7-ium-2-carboxylate Traditional Name: 3-amino-4,6-dimethyl-thieno[2,3-b]pyridin-7-ium-2-carboxylic acid (6-chloro-3-pyridyl)methyl ester Formula: C16H15ClN3O2S+ MolecularWeight: 348.8272

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=[NH+]C2=C1C(=C(S2)C(=O)OCC3=CN=C(C=C3)Cl)N)C

Isomeric SMILES

CC1=CC(=[NH+]C2=C1C(=C(S2)C(=O)OCC3=CN=C(C=C3)Cl)N)C

InChI

InChI=1S/C16H14ClN3O2S/c1-8-5-9(2)20-15-12(8)13(18)14(23-15)16(21)22-7-10-3-4-11(17)19-6-10/h3-6H,7,18H2,1-2H3/p+1