ethyl 4,5-dimethyl-2-[2-(3-phenylpyridin-1-ium-1-yl)ethanoylamino]thiophene-3-carboxylate

Systemtic Name: ethyl 4,5-dimethyl-2-[2-(3-phenylpyridin-1-ium-1-yl)ethanoylamino]thiophene-3-carboxylate Openeye Name: ethyl 4,5-dimethyl-2-[[2-(3-phenylpyridin-1-ium-1-yl)acetyl]amino]thiophene-3-carboxylate CAS Name: 4,5-dimethyl-2-[[1-oxo-2-(3-phenyl-1-pyridin-1-iumyl)ethyl]amino]-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 4,5-dimethyl-2-[[2-(3-phenylpyridin-1-ium-1-yl)acetyl]amino]thiophene-3-carboxylate Traditional Name: 4,5-dimethyl-2-[[2-(3-phenylpyridin-1-ium-1-yl)acetyl]amino]thiophene-3-carboxylic acid ethyl ester Formula: C22H23N2O3S+ MolecularWeight: 395.49462

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=C1C)C)NC(=O)C[N+]2=CC=CC(=C2)C3=CC=CC=C3

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1C)C)NC(=O)C[N+]2=CC=CC(=C2)C3=CC=CC=C3

InChI

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