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

Systemtic Name: ethyl 2-[2-(4-pentan-3-ylpyridin-1-ium-1-yl)ethanoylamino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate Openeye Name: ethyl 2-[[2-[4-(1-ethylpropyl)pyridin-1-ium-1-yl]acetyl]amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate CAS Name: 2-[[1-oxo-2-(4-pentan-3-yl-1-pyridin-1-iumyl)ethyl]amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylic acid ethyl ester IUPAC Name: ethyl 2-[[2-(4-pentan-3-ylpyridin-1-ium-1-yl)acetyl]amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate Traditional Name: 2-[[2-[4-(1-ethylpropyl)pyridin-1-ium-1-yl]acetyl]amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylic acid ethyl ester Formula: C22H29N2O3S+ MolecularWeight: 401.54226

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H28N2O3S/c1-4-15(5-2)16-10-12-24(13-11-16)14-19(25)23-21-20(22(26)27-6-3)17-8-7-9-18(17)28-21/h10-13,15H,4-9,14H2,1-3H3/p+1