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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=[N+](C=C1)CC(=O)NC2=C(C(=C(S2)C(=O)N(C)C)C)C(=O)OCC

Isomeric SMILES

CCC1=CC=[N+](C=C1)CC(=O)NC2=C(C(=C(S2)C(=O)N(C)C)C)C(=O)OCC

InChI

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