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

Systemtic Name: ethyl 2-[2-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)ethanoylamino]-4-thiophen-2-yl-thiophene-3-carboxylate Openeye Name: ethyl 2-[[2-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)acetyl]amino]-4-(2-thienyl)thiophene-3-carboxylate CAS Name: 2-[[1-oxo-2-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)ethyl]amino]-4-thiophen-2-yl-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[[2-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)acetyl]amino]-4-thiophen-2-ylthiophene-3-carboxylate Traditional Name: 2-[[2-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)acetyl]amino]-4-(2-thienyl)thiophene-3-carboxylic acid ethyl ester Formula: C22H23N2O3S2+ MolecularWeight: 427.55962

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC=C1C2=CC=CS2)NC(=O)C[NH+]3CCC4=CC=CC=C4C3

Isomeric SMILES

CCOC(=O)C1=C(SC=C1C2=CC=CS2)NC(=O)C[NH+]3CCC4=CC=CC=C4C3

InChI

InChI=1S/C22H22N2O3S2/c1-2-27-22(26)20-17(18-8-5-11-28-18)14-29-21(20)23-19(25)13-24-10-9-15-6-3-4-7-16(15)12-24/h3-8,11,14H,2,9-10,12-13H2,1H3,(H,23,25)/p+1