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

Systemtic Name: ethyl 2-[2-(4-propylpyridin-1-ium-1-yl)ethanoylamino]-4-thiophen-2-yl-thiophene-3-carboxylate Openeye Name: ethyl 2-[[2-(4-propylpyridin-1-ium-1-yl)acetyl]amino]-4-(2-thienyl)thiophene-3-carboxylate CAS Name: 2-[[1-oxo-2-(4-propyl-1-pyridin-1-iumyl)ethyl]amino]-4-thiophen-2-yl-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[[2-(4-propylpyridin-1-ium-1-yl)acetyl]amino]-4-thiophen-2-ylthiophene-3-carboxylate Traditional Name: 2-[[2-(4-propylpyridin-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:

CCCC1=CC=[N+](C=C1)CC(=O)NC2=C(C(=CS2)C3=CC=CS3)C(=O)OCC

Isomeric SMILES

CCCC1=CC=[N+](C=C1)CC(=O)NC2=C(C(=CS2)C3=CC=CS3)C(=O)OCC

InChI

InChI=1S/C21H22N2O3S2/c1-3-6-15-8-10-23(11-9-15)13-18(24)22-20-19(21(25)26-4-2)16(14-28-20)17-7-5-12-27-17/h5,7-12,14H,3-4,6,13H2,1-2H3/p+1