[(3S)-1-ethylpiperidin-1-ium-3-yl] 4-bromanylbenzoate

Systemtic Name: [(3S)-1-ethylpiperidin-1-ium-3-yl] 4-bromanylbenzoate Openeye Name: [(3S)-1-ethylpiperidin-1-ium-3-yl] 4-bromobenzoate CAS Name: 4-bromobenzoic acid [(3S)-1-ethyl-3-piperidin-1-iumyl] ester IUPAC Name: [(3S)-1-ethylpiperidin-1-ium-3-yl] 4-bromobenzoate Traditional Name: 4-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=C(C=C2)Br

Isomeric SMILES

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

InChI

InChI=1S/C14H18BrNO2/c1-2-16-9-3-4-13(10-16)18-14(17)11-5-7-12(15)8-6-11/h5-8,13H,2-4,9-10H2,1H3/p+1/t13-/m0/s1