ethyl 5-phenyl-3-[2-(4-propylpyridin-1-ium-1-yl)ethanoylamino]thiophene-2-carboxylate

Systemtic Name: ethyl 5-phenyl-3-[2-(4-propylpyridin-1-ium-1-yl)ethanoylamino]thiophene-2-carboxylate Openeye Name: ethyl 5-phenyl-3-[[2-(4-propylpyridin-1-ium-1-yl)acetyl]amino]thiophene-2-carboxylate CAS Name: 3-[[1-oxo-2-(4-propyl-1-pyridin-1-iumyl)ethyl]amino]-5-phenyl-2-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 5-phenyl-3-[[2-(4-propylpyridin-1-ium-1-yl)acetyl]amino]thiophene-2-carboxylate Traditional Name: 5-phenyl-3-[[2-(4-propylpyridin-1-ium-1-yl)acetyl]amino]thiophene-2-carboxylic acid ethyl ester Formula: C23H25N2O3S+ MolecularWeight: 409.5212

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC=[N+](C=C1)CC(=O)NC2=C(SC(=C2)C3=CC=CC=C3)C(=O)OCC

Isomeric SMILES

CCCC1=CC=[N+](C=C1)CC(=O)NC2=C(SC(=C2)C3=CC=CC=C3)C(=O)OCC

InChI

InChI=1S/C23H24N2O3S/c1-3-8-17-11-13-25(14-12-17)16-21(26)24-19-15-20(18-9-6-5-7-10-18)29-22(19)23(27)28-4-2/h5-7,9-15H,3-4,8,16H2,1-2H3/p+1