(3-bromanyl-4-fluoranyl-phenyl)methyl-[(2R)-2-(dimethylamino)-3-methyl-butyl]azanium

Systemtic Name: (3-bromanyl-4-fluoranyl-phenyl)methyl-[(2R)-2-(dimethylamino)-3-methyl-butyl]azanium Openeye Name: (3-bromo-4-fluoro-phenyl)methyl-[(2R)-2-(dimethylamino)-3-methyl-butyl]ammonium CAS Name: (3-bromo-4-fluorophenyl)methyl-[(2R)-2-(dimethylamino)-3-methylbutyl]ammonium IUPAC Name: (3-bromo-4-fluorophenyl)methyl-[(2R)-2-(dimethylamino)-3-methylbutyl]azanium Traditional Name: (3-bromo-4-fluoro-benzyl)-[(2R)-2-(dimethylamino)-3-methyl-butyl]ammonium Formula: C14H23BrFN2+ MolecularWeight: 318.248223

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C[NH2+]CC1=CC(=C(C=C1)F)Br)N(C)C

Isomeric SMILES

CC(C)[C@H](C[NH2+]CC1=CC(=C(C=C1)F)Br)N(C)C

InChI

InChI=1S/C14H22BrFN2/c1-10(2)14(18(3)4)9-17-8-11-5-6-13(16)12(15)7-11/h5-7,10,14,17H,8-9H2,1-4H3/p+1/t14-/m0/s1