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

Systemtic Name: ethyl 5-aminocarbonyl-4-methyl-2-[2-(4-propylpyridin-1-ium-1-yl)ethanoylamino]thiophene-3-carboxylate Openeye Name: ethyl 5-carbamoyl-4-methyl-2-[[2-(4-propylpyridin-1-ium-1-yl)acetyl]amino]thiophene-3-carboxylate CAS Name: 5-carbamoyl-4-methyl-2-[[1-oxo-2-(4-propyl-1-pyridin-1-iumyl)ethyl]amino]-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 5-carbamoyl-4-methyl-2-[[2-(4-propylpyridin-1-ium-1-yl)acetyl]amino]thiophene-3-carboxylate Traditional Name: 5-carbamoyl-4-methyl-2-[[2-(4-propylpyridin-1-ium-1-yl)acetyl]amino]thiophene-3-carboxylic acid ethyl ester Formula: C19H24N3O4S+ MolecularWeight: 390.47656

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC=[N+](C=C1)CC(=O)NC2=C(C(=C(S2)C(=O)N)C)C(=O)OCC

Isomeric SMILES

CCCC1=CC=[N+](C=C1)CC(=O)NC2=C(C(=C(S2)C(=O)N)C)C(=O)OCC

InChI

InChI=1S/C19H23N3O4S/c1-4-6-13-7-9-22(10-8-13)11-14(23)21-18-15(19(25)26-5-2)12(3)16(27-18)17(20)24/h7-10H,4-6,11H2,1-3H3,(H2-,20,21,23,24,25)/p+1