diethyl 3-methyl-5-[2-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)ethanoylamino]thiophene-2,4-dicarboxylate

Systemtic Name: diethyl 3-methyl-5-[2-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)ethanoylamino]thiophene-2,4-dicarboxylate Openeye Name: diethyl 3-methyl-5-[[2-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)acetyl]amino]thiophene-2,4-dicarboxylate CAS Name: 3-methyl-5-[[1-oxo-2-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)ethyl]amino]thiophene-2,4-dicarboxylic acid diethyl ester IUPAC Name: diethyl 3-methyl-5-[[2-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)acetyl]amino]thiophene-2,4-dicarboxylate Traditional Name: 3-methyl-5-[[2-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)acetyl]amino]thiophene-2,4-dicarboxylic acid diethyl ester Formula: C22H27N2O5S+ MolecularWeight: 431.52518

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=C1C)C(=O)OCC)NC(=O)C[NH+]2CCC3=CC=CC=C3C2

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1C)C(=O)OCC)NC(=O)C[NH+]2CCC3=CC=CC=C3C2

InChI

InChI=1S/C22H26N2O5S/c1-4-28-21(26)18-14(3)19(22(27)29-5-2)30-20(18)23-17(25)13-24-11-10-15-8-6-7-9-16(15)12-24/h6-9H,4-5,10-13H2,1-3H3,(H,23,25)/p+1