2-(2,5-dimethylpyrrol-1-yl)-6-methyl-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-6-ium-3-carboxylate

Systemtic Name: 2-(2,5-dimethylpyrrol-1-yl)-6-methyl-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-6-ium-3-carboxylate Openeye Name: 2-(2,5-dimethylpyrrol-1-yl)-6-methyl-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-6-ium-3-carboxylate CAS Name: 2-(2,5-dimethyl-1-pyrrolyl)-6-methyl-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-6-ium-3-carboxylate IUPAC Name: 2-(2,5-dimethylpyrrol-1-yl)-6-methyl-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-6-ium-3-carboxylate Traditional Name: 2-(2,5-dimethylpyrrol-1-yl)-6-methyl-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-6-ium-3-carboxylate Formula: C15H18N2O2S MolecularWeight: 290.38062

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(N1C2=C(C3=C(S2)C[NH+](CC3)C)C(=O)[O-])C

Isomeric SMILES

CC1=CC=C(N1C2=C(C3=C(S2)C[NH+](CC3)C)C(=O)[O-])C

InChI

InChI=1S/C15H18N2O2S/c1-9-4-5-10(2)17(9)14-13(15(18)19)11-6-7-16(3)8-12(11)20-14/h4-5H,6-8H2,1-3H3,(H,18,19)