ethyl 2-(2-isoquinolin-2-ium-2-ylethanoylamino)-4-phenyl-thiophene-3-carboxylate

Systemtic Name: ethyl 2-(2-isoquinolin-2-ium-2-ylethanoylamino)-4-phenyl-thiophene-3-carboxylate Openeye Name: ethyl 2-[(2-isoquinolin-2-ium-2-ylacetyl)amino]-4-phenyl-thiophene-3-carboxylate CAS Name: 2-[[2-(2-isoquinolin-2-iumyl)-1-oxoethyl]amino]-4-phenyl-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[(2-isoquinolin-2-ium-2-ylacetyl)amino]-4-phenylthiophene-3-carboxylate Traditional Name: 2-[(2-isoquinolin-2-ium-2-ylacetyl)amino]-4-phenyl-thiophene-3-carboxylic acid ethyl ester Formula: C24H21N2O3S+ MolecularWeight: 417.50014

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC=C1C2=CC=CC=C2)NC(=O)C[N+]3=CC4=CC=CC=C4C=C3

Isomeric SMILES

CCOC(=O)C1=C(SC=C1C2=CC=CC=C2)NC(=O)C[N+]3=CC4=CC=CC=C4C=C3

InChI

InChI=1S/C24H20N2O3S/c1-2-29-24(28)22-20(18-9-4-3-5-10-18)16-30-23(22)25-21(27)15-26-13-12-17-8-6-7-11-19(17)14-26/h3-14,16H,2,15H2,1H3/p+1