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

Systemtic Name: ethyl 1-[3-(3-bromanylphenoxy)propyl]piperidin-1-ium-4-carboxylate Openeye Name: ethyl 1-[3-(3-bromophenoxy)propyl]piperidin-1-ium-4-carboxylate CAS Name: 1-[3-(3-bromophenoxy)propyl]-4-piperidin-1-iumcarboxylic acid ethyl ester IUPAC Name: ethyl 1-[3-(3-bromophenoxy)propyl]piperidin-1-ium-4-carboxylate Traditional Name: 1-[3-(3-bromophenoxy)propyl]piperidin-1-ium-4-carboxylic acid ethyl ester Formula: C17H25BrNO3+ MolecularWeight: 371.2893

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CC[NH+](CC1)CCCOC2=CC(=CC=C2)Br

Isomeric SMILES

CCOC(=O)C1CC[NH+](CC1)CCCOC2=CC(=CC=C2)Br

InChI

InChI=1S/C17H24BrNO3/c1-2-21-17(20)14-7-10-19(11-8-14)9-4-12-22-16-6-3-5-15(18)13-16/h3,5-6,13-14H,2,4,7-12H2,1H3/p+1