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

Systemtic Name: ethyl 2-[2-(5-ethyl-2-methyl-pyridin-1-ium-1-yl)ethanoylamino]-4-thiophen-2-yl-thiophene-3-carboxylate Openeye Name: ethyl 2-[[2-(5-ethyl-2-methyl-pyridin-1-ium-1-yl)acetyl]amino]-4-(2-thienyl)thiophene-3-carboxylate CAS Name: 2-[[2-(5-ethyl-2-methyl-1-pyridin-1-iumyl)-1-oxoethyl]amino]-4-thiophen-2-yl-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[[2-(5-ethyl-2-methylpyridin-1-ium-1-yl)acetyl]amino]-4-thiophen-2-ylthiophene-3-carboxylate Traditional Name: 2-[[2-(5-ethyl-2-methyl-pyridin-1-ium-1-yl)acetyl]amino]-4-(2-thienyl)thiophene-3-carboxylic acid ethyl ester Formula: C21H23N2O3S2+ MolecularWeight: 415.54892

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C[N+](=C(C=C1)C)CC(=O)NC2=C(C(=CS2)C3=CC=CS3)C(=O)OCC

Isomeric SMILES

CCC1=C[N+](=C(C=C1)C)CC(=O)NC2=C(C(=CS2)C3=CC=CS3)C(=O)OCC

InChI

InChI=1S/C21H22N2O3S2/c1-4-15-9-8-14(3)23(11-15)12-18(24)22-20-19(21(25)26-5-2)16(13-28-20)17-7-6-10-27-17/h6-11,13H,4-5,12H2,1-3H3/p+1