ethyl 2-[3-[(2,6-diethylphenyl)carbamoyl]-2,6-dimethyl-1-oxidanidyl-pyridin-1-ium-4-yl]oxyethanoate

Systemtic Name: ethyl 2-[3-[(2,6-diethylphenyl)carbamoyl]-2,6-dimethyl-1-oxidanidyl-pyridin-1-ium-4-yl]oxyethanoate Openeye Name: ethyl 2-[3-[(2,6-diethylphenyl)carbamoyl]-2,6-dimethyl-1-oxido-pyridin-1-ium-4-yl]oxyacetate CAS Name: 2-[[3-[(2,6-diethylanilino)-oxomethyl]-2,6-dimethyl-1-oxido-4-pyridin-1-iumyl]oxy]acetic acid ethyl ester IUPAC Name: ethyl 2-[3-[(2,6-diethylphenyl)carbamoyl]-2,6-dimethyl-1-oxidopyridin-1-ium-4-yl]oxyacetate Traditional Name: 2-[3-[(2,6-diethylphenyl)carbamoyl]-2,6-dimethyl-1-oxido-pyridin-1-ium-4-yl]oxyacetic acid ethyl ester Formula: C22H28N2O5 MolecularWeight: 400.46812

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(=CC=C1)CC)NC(=O)C2=C([N+](=C(C=C2OCC(=O)OCC)C)[O-])C

Isomeric SMILES

CCC1=C(C(=CC=C1)CC)NC(=O)C2=C([N+](=C(C=C2OCC(=O)OCC)C)[O-])C

InChI

InChI=1S/C22H28N2O5/c1-6-16-10-9-11-17(7-2)21(16)23-22(26)20-15(5)24(27)14(4)12-18(20)29-13-19(25)28-8-3/h9-12H,6-8,13H2,1-5H3,(H,23,26)