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

Systemtic Name: ethyl 5-propan-2-yl-2-[2-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)ethanoylamino]thiophene-3-carboxylate Openeye Name: ethyl 5-isopropyl-2-[[2-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)acetyl]amino]thiophene-3-carboxylate CAS Name: 2-[[1-oxo-2-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)ethyl]amino]-5-propan-2-yl-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 5-propan-2-yl-2-[[2-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)acetyl]amino]thiophene-3-carboxylate Traditional Name: 5-isopropyl-2-[[2-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)acetyl]amino]thiophene-3-carboxylic acid ethyl ester Formula: C21H27N2O3S+ MolecularWeight: 387.51568

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H26N2O3S/c1-4-26-21(25)17-11-18(14(2)3)27-20(17)22-19(24)13-23-10-9-15-7-5-6-8-16(15)12-23/h5-8,11,14H,4,9-10,12-13H2,1-3H3,(H,22,24)/p+1