[(2R)-1-[(2S,6S)-2,6-dimethylpiperidin-1-ium-1-yl]propan-2-yl] 3-bromanylbenzoate

Systemtic Name: [(2R)-1-[(2S,6S)-2,6-dimethylpiperidin-1-ium-1-yl]propan-2-yl] 3-bromanylbenzoate Openeye Name: [(1R)-2-[(2S,6S)-2,6-dimethylpiperidin-1-ium-1-yl]-1-methyl-ethyl] 3-bromobenzoate CAS Name: 3-bromobenzoic acid [(2R)-1-[(2S,6S)-2,6-dimethyl-1-piperidin-1-iumyl]propan-2-yl] ester IUPAC Name: [(2R)-1-[(2S,6S)-2,6-dimethylpiperidin-1-ium-1-yl]propan-2-yl] 3-bromobenzoate Traditional Name: 3-bromobenzoic acid [(1R)-2-[(2S,6S)-2,6-dimethylpiperidin-1-ium-1-yl]-1-methyl-ethyl] ester Formula: C17H25BrNO2+ MolecularWeight: 355.2899

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCC([NH+]1CC(C)OC(=O)C2=CC(=CC=C2)Br)C

Isomeric SMILES

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

InChI

InChI=1S/C17H24BrNO2/c1-12-6-4-7-13(2)19(12)11-14(3)21-17(20)15-8-5-9-16(18)10-15/h5,8-10,12-14H,4,6-7,11H2,1-3H3/p+1/t12-,13-,14+/m0/s1