[2-[2-(4-bromanylphenoxy)ethyl-methyl-amino]-2-oxidanylidene-ethyl] 1-oxidanidylpyridin-1-ium-2-carboxylate

Systemtic Name: [2-[2-(4-bromanylphenoxy)ethyl-methyl-amino]-2-oxidanylidene-ethyl] 1-oxidanidylpyridin-1-ium-2-carboxylate Openeye Name: [2-[2-(4-bromophenoxy)ethyl-methyl-amino]-2-oxo-ethyl] 1-oxidopyridin-1-ium-2-carboxylate CAS Name: 1-oxido-2-pyridin-1-iumcarboxylic acid [2-[2-(4-bromophenoxy)ethyl-methylamino]-2-oxoethyl] ester IUPAC Name: [2-[2-(4-bromophenoxy)ethyl-methylamino]-2-oxoethyl] 1-oxidopyridin-1-ium-2-carboxylate Traditional Name: 1-oxidopyridin-1-ium-2-carboxylic acid [2-[2-(4-bromophenoxy)ethyl-methyl-amino]-2-keto-ethyl] ester Formula: C17H17BrN2O5 MolecularWeight: 409.23128

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN(CCOC1=CC=C(C=C1)Br)C(=O)COC(=O)C2=CC=CC=[N+]2[O-]

Isomeric SMILES

CN(CCOC1=CC=C(C=C1)Br)C(=O)COC(=O)C2=CC=CC=[N+]2[O-]

InChI

InChI=1S/C17H17BrN2O5/c1-19(10-11-24-14-7-5-13(18)6-8-14)16(21)12-25-17(22)15-4-2-3-9-20(15)23/h2-9H,10-12H2,1H3