(2R)-1-(2-bromanylphenoxy)-3-[(3S,5S)-3,5-dimethylpiperidin-1-ium-1-yl]propan-2-ol

Systemtic Name: (2R)-1-(2-bromanylphenoxy)-3-[(3S,5S)-3,5-dimethylpiperidin-1-ium-1-yl]propan-2-ol Openeye Name: (2R)-1-(2-bromophenoxy)-3-[(3S,5S)-3,5-dimethylpiperidin-1-ium-1-yl]propan-2-ol CAS Name: (2R)-1-(2-bromophenoxy)-3-[(3S,5S)-3,5-dimethyl-1-piperidin-1-iumyl]-2-propanol IUPAC Name: (2R)-1-(2-bromophenoxy)-3-[(3S,5S)-3,5-dimethylpiperidin-1-ium-1-yl]propan-2-ol Traditional Name: (2R)-1-(2-bromophenoxy)-3-[(3S,5S)-3,5-dimethylpiperidin-1-ium-1-yl]propan-2-ol Formula: C16H25BrNO2+ MolecularWeight: 343.2792

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC(C[NH+](C1)CC(COC2=CC=CC=C2Br)O)C

Isomeric SMILES

C[C@H]1C[C@@H](C[NH+](C1)C[C@H](COC2=CC=CC=C2Br)O)C

InChI

InChI=1S/C16H24BrNO2/c1-12-7-13(2)9-18(8-12)10-14(19)11-20-16-6-4-3-5-15(16)17/h3-6,12-14,19H,7-11H2,1-2H3/p+1/t12-,13-,14+/m0/s1