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

Systemtic Name: (3R,5R)-1-[2-(2-bromanyl-4-chloranyl-phenoxy)ethyl]-3,5-dimethyl-piperidin-1-ium Openeye Name: (3R,5R)-1-[2-(2-bromo-4-chloro-phenoxy)ethyl]-3,5-dimethyl-piperidin-1-ium CAS Name: (3R,5R)-1-[2-(2-bromo-4-chlorophenoxy)ethyl]-3,5-dimethylpiperidin-1-ium IUPAC Name: (3R,5R)-1-[2-(2-bromo-4-chlorophenoxy)ethyl]-3,5-dimethylpiperidin-1-ium Traditional Name: (3R,5R)-1-[2-(2-bromo-4-chloro-phenoxy)ethyl]-3,5-dimethyl-piperidin-1-ium Formula: C15H22BrClNO+ MolecularWeight: 347.69828

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H21BrClNO/c1-11-7-12(2)10-18(9-11)5-6-19-15-4-3-13(17)8-14(15)16/h3-4,8,11-12H,5-7,9-10H2,1-2H3/p+1/t11-,12-/m1/s1