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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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