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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=C1C(=O)OC)NC(=O)C[NH+]2CCC3=CC=CC=C3C2)C

Isomeric SMILES

CC1=C(SC(=C1C(=O)OC)NC(=O)C[NH+]2CCC3=CC=CC=C3C2)C

InChI

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