(3-bromanyl-4-fluoranyl-phenyl)methyl-(2,2,6,6-tetramethylpiperidin-1-ium-4-yl)azanium

Systemtic Name: (3-bromanyl-4-fluoranyl-phenyl)methyl-(2,2,6,6-tetramethylpiperidin-1-ium-4-yl)azanium Openeye Name: (3-bromo-4-fluoro-phenyl)methyl-(2,2,6,6-tetramethylpiperidin-1-ium-4-yl)ammonium CAS Name: (3-bromo-4-fluorophenyl)methyl-(2,2,6,6-tetramethyl-4-piperidin-1-iumyl)ammonium IUPAC Name: (3-bromo-4-fluorophenyl)methyl-(2,2,6,6-tetramethylpiperidin-1-ium-4-yl)azanium Traditional Name: (3-bromo-4-fluoro-benzyl)-(2,2,6,6-tetramethylpiperidin-1-ium-4-yl)ammonium Formula: C16H26BrFN2+2 MolecularWeight: 345.293443

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC(CC([NH2+]1)(C)C)[NH2+]CC2=CC(=C(C=C2)F)Br)C

Isomeric SMILES

CC1(CC(CC([NH2+]1)(C)C)[NH2+]CC2=CC(=C(C=C2)F)Br)C

InChI

InChI=1S/C16H24BrFN2/c1-15(2)8-12(9-16(3,4)20-15)19-10-11-5-6-14(18)13(17)7-11/h5-7,12,19-20H,8-10H2,1-4H3/p+2