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

Systemtic Name: ethyl 3-methyl-5-[2-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)ethanoylamino]thiophene-2-carboxylate Openeye Name: ethyl 3-methyl-5-[[2-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)acetyl]amino]thiophene-2-carboxylate CAS Name: 3-methyl-5-[[1-oxo-2-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)ethyl]amino]-2-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 3-methyl-5-[[2-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)acetyl]amino]thiophene-2-carboxylate Traditional Name: 3-methyl-5-[[2-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)acetyl]amino]thiophene-2-carboxylic acid ethyl ester Formula: C19H23N2O3S+ MolecularWeight: 359.46252

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C=C(S1)NC(=O)C[NH+]2CCC3=CC=CC=C3C2)C

Isomeric SMILES

CCOC(=O)C1=C(C=C(S1)NC(=O)C[NH+]2CCC3=CC=CC=C3C2)C

InChI

InChI=1S/C19H22N2O3S/c1-3-24-19(23)18-13(2)10-17(25-18)20-16(22)12-21-9-8-14-6-4-5-7-15(14)11-21/h4-7,10H,3,8-9,11-12H2,1-2H3,(H,20,22)/p+1