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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C[N+](=C(C=C1)C)CC(=O)NC2=C(SC(=C2)C3=CC=CC=C3)C(=O)OCC

Isomeric SMILES

CCC1=C[N+](=C(C=C1)C)CC(=O)NC2=C(SC(=C2)C3=CC=CC=C3)C(=O)OCC

InChI

InChI=1S/C23H24N2O3S/c1-4-17-12-11-16(3)25(14-17)15-21(26)24-19-13-20(18-9-7-6-8-10-18)29-22(19)23(27)28-5-2/h6-14H,4-5,15H2,1-3H3/p+1