(3R,5R)-1-[(5-bromanyl-2-methoxy-phenyl)methyl]-3,5-dimethyl-piperidin-1-ium

Systemtic Name: (3R,5R)-1-[(5-bromanyl-2-methoxy-phenyl)methyl]-3,5-dimethyl-piperidin-1-ium Openeye Name: (3R,5R)-1-[(5-bromo-2-methoxy-phenyl)methyl]-3,5-dimethyl-piperidin-1-ium CAS Name: (3R,5R)-1-[(5-bromo-2-methoxyphenyl)methyl]-3,5-dimethylpiperidin-1-ium IUPAC Name: (3R,5R)-1-[(5-bromo-2-methoxyphenyl)methyl]-3,5-dimethylpiperidin-1-ium Traditional Name: (3R,5R)-1-(5-bromo-2-methoxy-benzyl)-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)CC2=C(C=CC(=C2)Br)OC)C

Isomeric SMILES

C[C@@H]1C[C@H](C[NH+](C1)CC2=C(C=CC(=C2)Br)OC)C

InChI

InChI=1S/C15H22BrNO/c1-11-6-12(2)9-17(8-11)10-13-7-14(16)4-5-15(13)18-3/h4-5,7,11-12H,6,8-10H2,1-3H3/p+1/t11-,12-/m1/s1