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

Systemtic Name: ethyl 5-aminocarbonyl-2-[2-(4-ethylpyridin-1-ium-1-yl)ethanoylamino]-4-methyl-thiophene-3-carboxylate Openeye Name: ethyl 5-carbamoyl-2-[[2-(4-ethylpyridin-1-ium-1-yl)acetyl]amino]-4-methyl-thiophene-3-carboxylate CAS Name: 5-carbamoyl-2-[[2-(4-ethyl-1-pyridin-1-iumyl)-1-oxoethyl]amino]-4-methyl-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 5-carbamoyl-2-[[2-(4-ethylpyridin-1-ium-1-yl)acetyl]amino]-4-methylthiophene-3-carboxylate Traditional Name: 5-carbamoyl-2-[[2-(4-ethylpyridin-1-ium-1-yl)acetyl]amino]-4-methyl-thiophene-3-carboxylic acid ethyl ester Formula: C18H22N3O4S+ MolecularWeight: 376.44998

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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(=O)OCC

Isomeric SMILES

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

InChI

InChI=1S/C18H21N3O4S/c1-4-12-6-8-21(9-7-12)10-13(22)20-17-14(18(24)25-5-2)11(3)15(26-17)16(19)23/h6-9H,4-5,10H2,1-3H3,(H2-,19,20,22,23,24)/p+1