[2-oxidanylidene-2-[3-(2,3,5-trimethylphenoxy)propylamino]ethyl] 1-oxidanidylpyridin-1-ium-2-carboxylate

Systemtic Name: [2-oxidanylidene-2-[3-(2,3,5-trimethylphenoxy)propylamino]ethyl] 1-oxidanidylpyridin-1-ium-2-carboxylate Openeye Name: [2-oxo-2-[3-(2,3,5-trimethylphenoxy)propylamino]ethyl] 1-oxidopyridin-1-ium-2-carboxylate CAS Name: 1-oxido-2-pyridin-1-iumcarboxylic acid [2-oxo-2-[3-(2,3,5-trimethylphenoxy)propylamino]ethyl] ester IUPAC Name: [2-oxo-2-[3-(2,3,5-trimethylphenoxy)propylamino]ethyl] 1-oxidopyridin-1-ium-2-carboxylate Traditional Name: 1-oxidopyridin-1-ium-2-carboxylic acid [2-keto-2-[3-(2,3,5-trimethylphenoxy)propylamino]ethyl] ester Formula: C20H24N2O5 MolecularWeight: 372.41496

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)OCCCNC(=O)COC(=O)C2=CC=CC=[N+]2[O-])C)C

Isomeric SMILES

CC1=CC(=C(C(=C1)OCCCNC(=O)COC(=O)C2=CC=CC=[N+]2[O-])C)C

InChI

InChI=1S/C20H24N2O5/c1-14-11-15(2)16(3)18(12-14)26-10-6-8-21-19(23)13-27-20(24)17-7-4-5-9-22(17)25/h4-5,7,9,11-12H,6,8,10,13H2,1-3H3,(H,21,23)