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

Systemtic Name: ethyl 2-[3-[(2,6-dimethylphenyl)carbamoyl]-2,6-dimethyl-1-oxidanidyl-pyridin-1-ium-4-yl]oxypropanoate Openeye Name: ethyl 2-[3-[(2,6-dimethylphenyl)carbamoyl]-2,6-dimethyl-1-oxido-pyridin-1-ium-4-yl]oxypropanoate CAS Name: 2-[[3-[(2,6-dimethylanilino)-oxomethyl]-2,6-dimethyl-1-oxido-4-pyridin-1-iumyl]oxy]propanoic acid ethyl ester IUPAC Name: ethyl 2-[3-[(2,6-dimethylphenyl)carbamoyl]-2,6-dimethyl-1-oxidopyridin-1-ium-4-yl]oxypropanoate Traditional Name: 2-[3-[(2,6-dimethylphenyl)carbamoyl]-2,6-dimethyl-1-oxido-pyridin-1-ium-4-yl]oxypropionic acid ethyl ester Formula: C21H26N2O5 MolecularWeight: 386.44154

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(C)OC1=CC(=[N+](C(=C1C(=O)NC2=C(C=CC=C2C)C)C)[O-])C

Isomeric SMILES

CCOC(=O)C(C)OC1=CC(=[N+](C(=C1C(=O)NC2=C(C=CC=C2C)C)C)[O-])C

InChI

InChI=1S/C21H26N2O5/c1-7-27-21(25)16(6)28-17-11-14(4)23(26)15(5)18(17)20(24)22-19-12(2)9-8-10-13(19)3/h8-11,16H,7H2,1-6H3,(H,22,24)