ethyl 2-(2-isoquinolin-2-ium-2-ylethanoylamino)-4,5-dimethyl-thiophene-3-carboxylate

Systemtic Name: ethyl 2-(2-isoquinolin-2-ium-2-ylethanoylamino)-4,5-dimethyl-thiophene-3-carboxylate Openeye Name: ethyl 2-[(2-isoquinolin-2-ium-2-ylacetyl)amino]-4,5-dimethyl-thiophene-3-carboxylate CAS Name: 2-[[2-(2-isoquinolin-2-iumyl)-1-oxoethyl]amino]-4,5-dimethyl-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[(2-isoquinolin-2-ium-2-ylacetyl)amino]-4,5-dimethylthiophene-3-carboxylate Traditional Name: 2-[(2-isoquinolin-2-ium-2-ylacetyl)amino]-4,5-dimethyl-thiophene-3-carboxylic acid ethyl ester Formula: C20H21N2O3S+ MolecularWeight: 369.45734

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=C1C)C)NC(=O)C[N+]2=CC3=CC=CC=C3C=C2

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1C)C)NC(=O)C[N+]2=CC3=CC=CC=C3C=C2

InChI

InChI=1S/C20H20N2O3S/c1-4-25-20(24)18-13(2)14(3)26-19(18)21-17(23)12-22-10-9-15-7-5-6-8-16(15)11-22/h5-11H,4,12H2,1-3H3/p+1