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

Systemtic Name: ethyl 5-(dimethylcarbamoyl)-2-[2-(5-ethyl-2-methyl-pyridin-1-ium-1-yl)ethanoylamino]-4-methyl-thiophene-3-carboxylate Openeye Name: ethyl 5-(dimethylcarbamoyl)-2-[[2-(5-ethyl-2-methyl-pyridin-1-ium-1-yl)acetyl]amino]-4-methyl-thiophene-3-carboxylate CAS Name: 5-[dimethylamino(oxo)methyl]-2-[[2-(5-ethyl-2-methyl-1-pyridin-1-iumyl)-1-oxoethyl]amino]-4-methyl-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 5-(dimethylcarbamoyl)-2-[[2-(5-ethyl-2-methylpyridin-1-ium-1-yl)acetyl]amino]-4-methylthiophene-3-carboxylate Traditional Name: 5-(dimethylcarbamoyl)-2-[[2-(5-ethyl-2-methyl-pyridin-1-ium-1-yl)acetyl]amino]-4-methyl-thiophene-3-carboxylic acid ethyl ester Formula: C21H28N3O4S+ MolecularWeight: 418.52972

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H27N3O4S/c1-7-15-10-9-13(3)24(11-15)12-16(25)22-19-17(21(27)28-8-2)14(4)18(29-19)20(26)23(5)6/h9-11H,7-8,12H2,1-6H3/p+1