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

Systemtic Name: ethyl 4-methyl-5-(methylcarbamoyl)-2-[2-(4-propylpyridin-1-ium-1-yl)ethanoylamino]thiophene-3-carboxylate Openeye Name: ethyl 4-methyl-5-(methylcarbamoyl)-2-[[2-(4-propylpyridin-1-ium-1-yl)acetyl]amino]thiophene-3-carboxylate CAS Name: 4-methyl-5-(methylcarbamoyl)-2-[[1-oxo-2-(4-propyl-1-pyridin-1-iumyl)ethyl]amino]-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 4-methyl-5-(methylcarbamoyl)-2-[[2-(4-propylpyridin-1-ium-1-yl)acetyl]amino]thiophene-3-carboxylate Traditional Name: 4-methyl-5-(methylcarbamoyl)-2-[[2-(4-propylpyridin-1-ium-1-yl)acetyl]amino]thiophene-3-carboxylic acid ethyl ester Formula: C20H26N3O4S+ MolecularWeight: 404.50314

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H25N3O4S/c1-5-7-14-8-10-23(11-9-14)12-15(24)22-19-16(20(26)27-6-2)13(3)17(28-19)18(25)21-4/h8-11H,5-7,12H2,1-4H3,(H-,21,22,24,25,26)/p+1