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

Systemtic Name: ethyl 1-[2-(3-bromanylphenoxy)ethyl]piperidin-1-ium-4-carboxylate Openeye Name: ethyl 1-[2-(3-bromophenoxy)ethyl]piperidin-1-ium-4-carboxylate CAS Name: 1-[2-(3-bromophenoxy)ethyl]-4-piperidin-1-iumcarboxylic acid ethyl ester IUPAC Name: ethyl 1-[2-(3-bromophenoxy)ethyl]piperidin-1-ium-4-carboxylate Traditional Name: 1-[2-(3-bromophenoxy)ethyl]piperidin-1-ium-4-carboxylic acid ethyl ester Formula: C16H23BrNO3+ MolecularWeight: 357.26272

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CC[NH+](CC1)CCOC2=CC(=CC=C2)Br

Isomeric SMILES

CCOC(=O)C1CC[NH+](CC1)CCOC2=CC(=CC=C2)Br

InChI

InChI=1S/C16H22BrNO3/c1-2-20-16(19)13-6-8-18(9-7-13)10-11-21-15-5-3-4-14(17)12-15/h3-5,12-13H,2,6-11H2,1H3/p+1