pentyl 3-azanyl-4,6-dimethyl-thieno[2,3-b]pyridin-7-ium-2-carboxylate

Systemtic Name: pentyl 3-azanyl-4,6-dimethyl-thieno[2,3-b]pyridin-7-ium-2-carboxylate Openeye Name: pentyl 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 pentyl ester IUPAC Name: pentyl 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 amyl ester Formula: C15H21N2O2S+ MolecularWeight: 293.40444

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCOC(=O)C1=C(C2=C(S1)[NH+]=C(C=C2C)C)N

Isomeric SMILES

CCCCCOC(=O)C1=C(C2=C(S1)[NH+]=C(C=C2C)C)N

InChI

InChI=1S/C15H20N2O2S/c1-4-5-6-7-19-15(18)13-12(16)11-9(2)8-10(3)17-14(11)20-13/h8H,4-7,16H2,1-3H3/p+1