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

Systemtic Name: ethyl 2-[2-(2,3-dimethylpyridin-1-ium-1-yl)ethanoylamino]-4,5-dimethyl-thiophene-3-carboxylate Openeye Name: ethyl 2-[[2-(2,3-dimethylpyridin-1-ium-1-yl)acetyl]amino]-4,5-dimethyl-thiophene-3-carboxylate CAS Name: 2-[[2-(2,3-dimethyl-1-pyridin-1-iumyl)-1-oxoethyl]amino]-4,5-dimethyl-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[[2-(2,3-dimethylpyridin-1-ium-1-yl)acetyl]amino]-4,5-dimethylthiophene-3-carboxylate Traditional Name: 2-[[2-(2,3-dimethylpyridin-1-ium-1-yl)acetyl]amino]-4,5-dimethyl-thiophene-3-carboxylic acid ethyl ester Formula: C18H23N2O3S+ MolecularWeight: 347.45182

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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)C

Isomeric SMILES

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

InChI

InChI=1S/C18H22N2O3S/c1-6-23-18(22)16-12(3)14(5)24-17(16)19-15(21)10-20-9-7-8-11(2)13(20)4/h7-9H,6,10H2,1-5H3/p+1