1-[3-(2-bromanylphenoxy)-2-oxidanyl-propyl]-1-ethyl-piperidin-1-ium-4-carboxylate

Systemtic Name: 1-[3-(2-bromanylphenoxy)-2-oxidanyl-propyl]-1-ethyl-piperidin-1-ium-4-carboxylate Openeye Name: 1-[3-(2-bromophenoxy)-2-hydroxy-propyl]-1-ethyl-piperidin-1-ium-4-carboxylate CAS Name: 1-[3-(2-bromophenoxy)-2-hydroxypropyl]-1-ethyl-4-piperidin-1-iumcarboxylate IUPAC Name: 1-[3-(2-bromophenoxy)-2-hydroxypropyl]-1-ethylpiperidin-1-ium-4-carboxylate Traditional Name: 1-[3-(2-bromophenoxy)-2-hydroxy-propyl]-1-ethyl-piperidin-1-ium-4-carboxylate Formula: C17H24BrNO4 MolecularWeight: 386.28076

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Descriptors Computed from Structure

Canonical SMILES:

CC[N+]1(CCC(CC1)C(=O)[O-])CC(COC2=CC=CC=C2Br)O

Isomeric SMILES

CC[N+]1(CCC(CC1)C(=O)[O-])CC(COC2=CC=CC=C2Br)O

InChI

InChI=1S/C17H24BrNO4/c1-2-19(9-7-13(8-10-19)17(21)22)11-14(20)12-23-16-6-4-3-5-15(16)18/h3-6,13-14,20H,2,7-12H2,1H3