[(3S)-1-ethylpiperidin-1-ium-3-yl] 3-bromanylbenzoate

Systemtic Name: [(3S)-1-ethylpiperidin-1-ium-3-yl] 3-bromanylbenzoate Openeye Name: [(3S)-1-ethylpiperidin-1-ium-3-yl] 3-bromobenzoate CAS Name: 3-bromobenzoic acid [(3S)-1-ethyl-3-piperidin-1-iumyl] ester IUPAC Name: [(3S)-1-ethylpiperidin-1-ium-3-yl] 3-bromobenzoate Traditional Name: 3-bromobenzoic acid [(3S)-1-ethylpiperidin-1-ium-3-yl] ester Formula: C14H19BrNO2+ MolecularWeight: 313.21016

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+]1CCCC(C1)OC(=O)C2=CC(=CC=C2)Br

Isomeric SMILES

CC[NH+]1CCC[C@@H](C1)OC(=O)C2=CC(=CC=C2)Br

InChI

InChI=1S/C14H18BrNO2/c1-2-16-8-4-7-13(10-16)18-14(17)11-5-3-6-12(15)9-11/h3,5-6,9,13H,2,4,7-8,10H2,1H3/p+1/t13-/m0/s1