ethyl 1-[(3-bromophenyl)methyl]piperidin-1-ium-4-carboxylate

Systemtic Name: ethyl 1-[(3-bromophenyl)methyl]piperidin-1-ium-4-carboxylate Openeye Name: ethyl 1-[(3-bromophenyl)methyl]piperidin-1-ium-4-carboxylate CAS Name: 1-[(3-bromophenyl)methyl]-4-piperidin-1-iumcarboxylic acid ethyl ester IUPAC Name: ethyl 1-[(3-bromophenyl)methyl]piperidin-1-ium-4-carboxylate Traditional Name: 1-(3-bromobenzyl)piperidin-1-ium-4-carboxylic acid ethyl ester Formula: C15H21BrNO2+ MolecularWeight: 327.23674

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CC[NH+](CC1)CC2=CC(=CC=C2)Br

Isomeric SMILES

CCOC(=O)C1CC[NH+](CC1)CC2=CC(=CC=C2)Br

InChI

InChI=1S/C15H20BrNO2/c1-2-19-15(18)13-6-8-17(9-7-13)11-12-4-3-5-14(16)10-12/h3-5,10,13H,2,6-9,11H2,1H3/p+1