(3R,5R)-1-[2-(4-bromanylphenoxy)ethyl]-3,5-dimethyl-piperidin-1-ium

Systemtic Name: (3R,5R)-1-[2-(4-bromanylphenoxy)ethyl]-3,5-dimethyl-piperidin-1-ium Openeye Name: (3R,5R)-1-[2-(4-bromophenoxy)ethyl]-3,5-dimethyl-piperidin-1-ium CAS Name: (3R,5R)-1-[2-(4-bromophenoxy)ethyl]-3,5-dimethylpiperidin-1-ium IUPAC Name: (3R,5R)-1-[2-(4-bromophenoxy)ethyl]-3,5-dimethylpiperidin-1-ium Traditional Name: (3R,5R)-1-[2-(4-bromophenoxy)ethyl]-3,5-dimethyl-piperidin-1-ium Formula: C15H23BrNO+ MolecularWeight: 313.25322

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC(C[NH+](C1)CCOC2=CC=C(C=C2)Br)C

Isomeric SMILES

C[C@@H]1C[C@H](C[NH+](C1)CCOC2=CC=C(C=C2)Br)C

InChI

InChI=1S/C15H22BrNO/c1-12-9-13(2)11-17(10-12)7-8-18-15-5-3-14(16)4-6-15/h3-6,12-13H,7-11H2,1-2H3/p+1/t12-,13-/m1/s1