ethyl 2-(2-isoquinolin-2-ium-2-ylethanoylamino)-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate

Systemtic Name: ethyl 2-(2-isoquinolin-2-ium-2-ylethanoylamino)-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate Openeye Name: ethyl 2-[(2-isoquinolin-2-ium-2-ylacetyl)amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate CAS Name: 2-[[2-(2-isoquinolin-2-iumyl)-1-oxoethyl]amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylic acid ethyl ester IUPAC Name: ethyl 2-[(2-isoquinolin-2-ium-2-ylacetyl)amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate Traditional Name: 2-[(2-isoquinolin-2-ium-2-ylacetyl)amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylic acid ethyl ester Formula: C21H21N2O3S+ MolecularWeight: 381.46804

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC2=C1CCC2)NC(=O)C[N+]3=CC4=CC=CC=C4C=C3

Isomeric SMILES

CCOC(=O)C1=C(SC2=C1CCC2)NC(=O)C[N+]3=CC4=CC=CC=C4C=C3

InChI

InChI=1S/C21H20N2O3S/c1-2-26-21(25)19-16-8-5-9-17(16)27-20(19)22-18(24)13-23-11-10-14-6-3-4-7-15(14)12-23/h3-4,6-7,10-12H,2,5,8-9,13H2,1H3/p+1