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

Systemtic Name: ethyl 2-[3-[(2,6-diethylphenyl)carbamoyl]-2,6-dimethyl-1-oxidanidyl-pyridin-1-ium-4-yl]oxypropanoate Openeye Name: ethyl 2-[3-[(2,6-diethylphenyl)carbamoyl]-2,6-dimethyl-1-oxido-pyridin-1-ium-4-yl]oxypropanoate CAS Name: 2-[[3-[(2,6-diethylanilino)-oxomethyl]-2,6-dimethyl-1-oxido-4-pyridin-1-iumyl]oxy]propanoic acid ethyl ester IUPAC Name: ethyl 2-[3-[(2,6-diethylphenyl)carbamoyl]-2,6-dimethyl-1-oxidopyridin-1-ium-4-yl]oxypropanoate Traditional Name: 2-[3-[(2,6-diethylphenyl)carbamoyl]-2,6-dimethyl-1-oxido-pyridin-1-ium-4-yl]oxypropionic acid ethyl ester Formula: C23H30N2O5 MolecularWeight: 414.4947

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(=CC=C1)CC)NC(=O)C2=C([N+](=C(C=C2OC(C)C(=O)OCC)C)[O-])C

Isomeric SMILES

CCC1=C(C(=CC=C1)CC)NC(=O)C2=C([N+](=C(C=C2OC(C)C(=O)OCC)C)[O-])C

InChI

InChI=1S/C23H30N2O5/c1-7-17-11-10-12-18(8-2)21(17)24-22(26)20-15(5)25(28)14(4)13-19(20)30-16(6)23(27)29-9-3/h10-13,16H,7-9H2,1-6H3,(H,24,26)