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

Systemtic Name: ethyl 2-[2-(4-ethylpyridin-1-ium-1-yl)ethanoylamino]-4-phenyl-thiophene-3-carboxylate Openeye Name: ethyl 2-[[2-(4-ethylpyridin-1-ium-1-yl)acetyl]amino]-4-phenyl-thiophene-3-carboxylate CAS Name: 2-[[2-(4-ethyl-1-pyridin-1-iumyl)-1-oxoethyl]amino]-4-phenyl-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[[2-(4-ethylpyridin-1-ium-1-yl)acetyl]amino]-4-phenylthiophene-3-carboxylate Traditional Name: 2-[[2-(4-ethylpyridin-1-ium-1-yl)acetyl]amino]-4-phenyl-thiophene-3-carboxylic acid ethyl ester Formula: C22H23N2O3S+ MolecularWeight: 395.49462

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H22N2O3S/c1-3-16-10-12-24(13-11-16)14-19(25)23-21-20(22(26)27-4-2)18(15-28-21)17-8-6-5-7-9-17/h5-13,15H,3-4,14H2,1-2H3/p+1