(3-bromanyl-4-fluoranyl-phenyl)methyl-[(1S,2R,3S)-2,3-dimethylcyclohexyl]azanium

Systemtic Name: (3-bromanyl-4-fluoranyl-phenyl)methyl-[(1S,2R,3S)-2,3-dimethylcyclohexyl]azanium Openeye Name: (3-bromo-4-fluoro-phenyl)methyl-[(1S,2R,3S)-2,3-dimethylcyclohexyl]ammonium CAS Name: (3-bromo-4-fluorophenyl)methyl-[(1S,2R,3S)-2,3-dimethylcyclohexyl]ammonium IUPAC Name: (3-bromo-4-fluorophenyl)methyl-[(1S,2R,3S)-2,3-dimethylcyclohexyl]azanium Traditional Name: (3-bromo-4-fluoro-benzyl)-[(1S,2R,3S)-2,3-dimethylcyclohexyl]ammonium Formula: C15H22BrFN+ MolecularWeight: 315.244283

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCC(C1C)[NH2+]CC2=CC(=C(C=C2)F)Br

Isomeric SMILES

C[C@H]1CCC[C@@H]([C@@H]1C)[NH2+]CC2=CC(=C(C=C2)F)Br

InChI

InChI=1S/C15H21BrFN/c1-10-4-3-5-15(11(10)2)18-9-12-6-7-14(17)13(16)8-12/h6-8,10-11,15,18H,3-5,9H2,1-2H3/p+1/t10-,11+,15-/m0/s1