[(2R)-1-azaniumyl-2,5-dimethyl-hexan-2-yl]-[(3-fluorophenyl)methyl]-methyl-azanium

Systemtic Name: [(2R)-1-azaniumyl-2,5-dimethyl-hexan-2-yl]-[(3-fluorophenyl)methyl]-methyl-azanium Openeye Name: [(1R)-1-(azaniumylmethyl)-1,4-dimethyl-pentyl]-[(3-fluorophenyl)methyl]-methyl-ammonium CAS Name: [(2R)-1-ammonio-2,5-dimethylhexan-2-yl]-[(3-fluorophenyl)methyl]-methylammonium IUPAC Name: [(2R)-1-azaniumyl-2,5-dimethylhexan-2-yl]-[(3-fluorophenyl)methyl]-methylazanium Traditional Name: [(1R)-1-(ammoniomethyl)-1,4-dimethyl-pentyl]-(3-fluorobenzyl)-methyl-ammonium Formula: C16H29FN2+2 MolecularWeight: 268.413263

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCC(C)(C[NH3+])[NH+](C)CC1=CC(=CC=C1)F

Isomeric SMILES

CC(C)CC[C@](C)(C[NH3+])[NH+](C)CC1=CC(=CC=C1)F

InChI

InChI=1S/C16H27FN2/c1-13(2)8-9-16(3,12-18)19(4)11-14-6-5-7-15(17)10-14/h5-7,10,13H,8-9,11-12,18H2,1-4H3/p+2/t16-/m1/s1