ethyl 4-(dimethylamino)-3-pyrrol-1-yl-thieno[2,3-b]pyridin-7-ium-2-carboxylate

Systemtic Name: ethyl 4-(dimethylamino)-3-pyrrol-1-yl-thieno[2,3-b]pyridin-7-ium-2-carboxylate Openeye Name: ethyl 4-(dimethylamino)-3-pyrrol-1-yl-thieno[2,3-b]pyridin-7-ium-2-carboxylate CAS Name: 4-(dimethylamino)-3-(1-pyrrolyl)-2-thieno[2,3-b]pyridin-7-iumcarboxylic acid ethyl ester IUPAC Name: ethyl 4-(dimethylamino)-3-pyrrol-1-ylthieno[2,3-b]pyridin-7-ium-2-carboxylate Traditional Name: 4-(dimethylamino)-3-pyrrol-1-yl-thieno[2,3-b]pyridin-7-ium-2-carboxylic acid ethyl ester Formula: C16H18N3O2S+ MolecularWeight: 316.39802

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C2=C(C=C[NH+]=C2S1)N(C)C)N3C=CC=C3

Isomeric SMILES

CCOC(=O)C1=C(C2=C(C=C[NH+]=C2S1)N(C)C)N3C=CC=C3

InChI

InChI=1S/C16H17N3O2S/c1-4-21-16(20)14-13(19-9-5-6-10-19)12-11(18(2)3)7-8-17-15(12)22-14/h5-10H,4H2,1-3H3/p+1