ethyl 4,5-dimethyl-2-[2-(2-methylpyridin-1-ium-1-yl)ethanoylamino]thiophene-3-carboxylate

Systemtic Name: ethyl 4,5-dimethyl-2-[2-(2-methylpyridin-1-ium-1-yl)ethanoylamino]thiophene-3-carboxylate Openeye Name: ethyl 4,5-dimethyl-2-[[2-(2-methylpyridin-1-ium-1-yl)acetyl]amino]thiophene-3-carboxylate CAS Name: 4,5-dimethyl-2-[[2-(2-methyl-1-pyridin-1-iumyl)-1-oxoethyl]amino]-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 4,5-dimethyl-2-[[2-(2-methylpyridin-1-ium-1-yl)acetyl]amino]thiophene-3-carboxylate Traditional Name: 4,5-dimethyl-2-[[2-(2-methylpyridin-1-ium-1-yl)acetyl]amino]thiophene-3-carboxylic acid ethyl ester Formula: C17H21N2O3S+ MolecularWeight: 333.42524

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=C1C)C)NC(=O)C[N+]2=CC=CC=C2C

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1C)C)NC(=O)C[N+]2=CC=CC=C2C

InChI

InChI=1S/C17H20N2O3S/c1-5-22-17(21)15-12(3)13(4)23-16(15)18-14(20)10-19-9-7-6-8-11(19)2/h6-9H,5,10H2,1-4H3/p+1