ethyl 5-phenyl-2-[2-(5,6,7,8-tetrahydroisoquinolin-2-ium-2-yl)ethanoylamino]thiophene-3-carboxylate

Systemtic Name: ethyl 5-phenyl-2-[2-(5,6,7,8-tetrahydroisoquinolin-2-ium-2-yl)ethanoylamino]thiophene-3-carboxylate Openeye Name: ethyl 5-phenyl-2-[[2-(5,6,7,8-tetrahydroisoquinolin-2-ium-2-yl)acetyl]amino]thiophene-3-carboxylate CAS Name: 2-[[1-oxo-2-(5,6,7,8-tetrahydroisoquinolin-2-ium-2-yl)ethyl]amino]-5-phenyl-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 5-phenyl-2-[[2-(5,6,7,8-tetrahydroisoquinolin-2-ium-2-yl)acetyl]amino]thiophene-3-carboxylate Traditional Name: 5-phenyl-2-[[2-(5,6,7,8-tetrahydroisoquinolin-2-ium-2-yl)acetyl]amino]thiophene-3-carboxylic acid ethyl ester Formula: C24H25N2O3S+ MolecularWeight: 421.5319

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=C1)C2=CC=CC=C2)NC(=O)C[N+]3=CC4=C(CCCC4)C=C3

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1)C2=CC=CC=C2)NC(=O)C[N+]3=CC4=C(CCCC4)C=C3

InChI

InChI=1S/C24H24N2O3S/c1-2-29-24(28)20-14-21(18-9-4-3-5-10-18)30-23(20)25-22(27)16-26-13-12-17-8-6-7-11-19(17)15-26/h3-5,9-10,12-15H,2,6-8,11,16H2,1H3/p+1