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

Systemtic Name: butan-2-yl 3-azanyl-4,6-dimethyl-thieno[2,3-b]pyridin-7-ium-2-carboxylate Openeye Name: sec-butyl 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 butan-2-yl ester IUPAC Name: butan-2-yl 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 sec-butyl ester Formula: C14H19N2O2S+ MolecularWeight: 279.37786

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H18N2O2S/c1-5-9(4)18-14(17)12-11(15)10-7(2)6-8(3)16-13(10)19-12/h6,9H,5,15H2,1-4H3/p+1