ethyl 2-[2-(4-propylpyridin-1-ium-1-yl)ethanoylamino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate

Systemtic Name: ethyl 2-[2-(4-propylpyridin-1-ium-1-yl)ethanoylamino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate Openeye Name: ethyl 2-[[2-(4-propylpyridin-1-ium-1-yl)acetyl]amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate CAS Name: 2-[[1-oxo-2-(4-propyl-1-pyridin-1-iumyl)ethyl]amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylic acid ethyl ester IUPAC Name: ethyl 2-[[2-(4-propylpyridin-1-ium-1-yl)acetyl]amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate Traditional Name: 2-[[2-(4-propylpyridin-1-ium-1-yl)acetyl]amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylic acid ethyl ester Formula: C20H25N2O3S+ MolecularWeight: 373.4891

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC=[N+](C=C1)CC(=O)NC2=C(C3=C(S2)CCC3)C(=O)OCC

Isomeric SMILES

CCCC1=CC=[N+](C=C1)CC(=O)NC2=C(C3=C(S2)CCC3)C(=O)OCC

InChI

InChI=1S/C20H24N2O3S/c1-3-6-14-9-11-22(12-10-14)13-17(23)21-19-18(20(24)25-4-2)15-7-5-8-16(15)26-19/h9-12H,3-8,13H2,1-2H3/p+1