1-[3-(2-bromanylphenoxy)-2-oxidanyl-propyl]-1-ethyl-piperidin-1-ium-3-carboxylic acid

Systemtic Name: 1-[3-(2-bromanylphenoxy)-2-oxidanyl-propyl]-1-ethyl-piperidin-1-ium-3-carboxylic acid Openeye Name: 1-[3-(2-bromophenoxy)-2-hydroxy-propyl]-1-ethyl-piperidin-1-ium-3-carboxylic acid CAS Name: 1-[3-(2-bromophenoxy)-2-hydroxypropyl]-1-ethyl-3-piperidin-1-iumcarboxylic acid IUPAC Name: 1-[3-(2-bromophenoxy)-2-hydroxypropyl]-1-ethylpiperidin-1-ium-3-carboxylic acid Traditional Name: 1-[3-(2-bromophenoxy)-2-hydroxy-propyl]-1-ethyl-piperidin-1-ium-3-carboxylic acid Formula: C17H25BrNO4+ MolecularWeight: 387.2887

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Descriptors Computed from Structure

Canonical SMILES:

CC[N+]1(CCCC(C1)C(=O)O)CC(COC2=CC=CC=C2Br)O

Isomeric SMILES

CC[N+]1(CCCC(C1)C(=O)O)CC(COC2=CC=CC=C2Br)O

InChI

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