ethyl 6-[(1-methylpiperidin-1-ium-1-yl)methyl]-4H-thieno[3,2-b]pyrrole-5-carboxylate

Systemtic Name: ethyl 6-[(1-methylpiperidin-1-ium-1-yl)methyl]-4H-thieno[3,2-b]pyrrole-5-carboxylate Openeye Name: ethyl 6-[(1-methylpiperidin-1-ium-1-yl)methyl]-4H-thieno[3,2-b]pyrrole-5-carboxylate CAS Name: 6-[(1-methyl-1-piperidin-1-iumyl)methyl]-4H-thieno[3,2-b]pyrrole-5-carboxylic acid ethyl ester IUPAC Name: ethyl 6-[(1-methylpiperidin-1-ium-1-yl)methyl]-4H-thieno[3,2-b]pyrrole-5-carboxylate Traditional Name: 6-[(1-methylpiperidin-1-ium-1-yl)methyl]-4H-thieno[3,2-b]pyrrole-5-carboxylic acid ethyl ester Formula: C16H23N2O2S+ MolecularWeight: 307.43102

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C2=C(N1)C=CS2)C[N+]3(CCCCC3)C

Isomeric SMILES

CCOC(=O)C1=C(C2=C(N1)C=CS2)C[N+]3(CCCCC3)C

InChI

InChI=1S/C16H22N2O2S/c1-3-20-16(19)14-12(15-13(17-14)7-10-21-15)11-18(2)8-5-4-6-9-18/h7,10H,3-6,8-9,11H2,1-2H3/p+1