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

Systemtic Name: ethyl 2-[2-(3-phenylpyridin-1-ium-1-yl)ethanoylamino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate Openeye Name: ethyl 2-[[2-(3-phenylpyridin-1-ium-1-yl)acetyl]amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate CAS Name: 2-[[1-oxo-2-(3-phenyl-1-pyridin-1-iumyl)ethyl]amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylic acid ethyl ester IUPAC Name: ethyl 2-[[2-(3-phenylpyridin-1-ium-1-yl)acetyl]amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate Traditional Name: 2-[[2-(3-phenylpyridin-1-ium-1-yl)acetyl]amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylic acid ethyl ester Formula: C23H23N2O3S+ MolecularWeight: 407.50532

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC2=C1CCC2)NC(=O)C[N+]3=CC=CC(=C3)C4=CC=CC=C4

Isomeric SMILES

CCOC(=O)C1=C(SC2=C1CCC2)NC(=O)C[N+]3=CC=CC(=C3)C4=CC=CC=C4

InChI

InChI=1S/C23H22N2O3S/c1-2-28-23(27)21-18-11-6-12-19(18)29-22(21)24-20(26)15-25-13-7-10-17(14-25)16-8-4-3-5-9-16/h3-5,7-10,13-14H,2,6,11-12,15H2,1H3/p+1