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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC=C1C2=CC=CC=C2)NC(=O)C[N+]3=CC=CC(=C3C)C

Isomeric SMILES

CCOC(=O)C1=C(SC=C1C2=CC=CC=C2)NC(=O)C[N+]3=CC=CC(=C3C)C

InChI

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