ethyl 3-(2-isoquinolin-2-ium-2-ylethanoylamino)-5-phenyl-thiophene-2-carboxylate

Systemtic Name: ethyl 3-(2-isoquinolin-2-ium-2-ylethanoylamino)-5-phenyl-thiophene-2-carboxylate Openeye Name: ethyl 3-[(2-isoquinolin-2-ium-2-ylacetyl)amino]-5-phenyl-thiophene-2-carboxylate CAS Name: 3-[[2-(2-isoquinolin-2-iumyl)-1-oxoethyl]amino]-5-phenyl-2-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 3-[(2-isoquinolin-2-ium-2-ylacetyl)amino]-5-phenylthiophene-2-carboxylate Traditional Name: 3-[(2-isoquinolin-2-ium-2-ylacetyl)amino]-5-phenyl-thiophene-2-carboxylic acid ethyl ester Formula: C24H21N2O3S+ MolecularWeight: 417.50014

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C=C(S1)C2=CC=CC=C2)NC(=O)C[N+]3=CC4=CC=CC=C4C=C3

Isomeric SMILES

CCOC(=O)C1=C(C=C(S1)C2=CC=CC=C2)NC(=O)C[N+]3=CC4=CC=CC=C4C=C3

InChI

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