1-adamantyl-[(5-bromanyl-2-fluoranyl-phenyl)methyl]azanium

Systemtic Name: 1-adamantyl-[(5-bromanyl-2-fluoranyl-phenyl)methyl]azanium Openeye Name: 1-adamantyl-[(5-bromo-2-fluoro-phenyl)methyl]ammonium CAS Name: 1-adamantyl-[(5-bromo-2-fluorophenyl)methyl]ammonium IUPAC Name: 1-adamantyl-[(5-bromo-2-fluorophenyl)methyl]azanium Traditional Name: 1-adamantyl-(5-bromo-2-fluoro-benzyl)ammonium Formula: C17H22BrFN+ MolecularWeight: 339.265683

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)[NH2+]CC4=C(C=CC(=C4)Br)F

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)[NH2+]CC4=C(C=CC(=C4)Br)F

InChI

InChI=1S/C17H21BrFN/c18-15-1-2-16(19)14(6-15)10-20-17-7-11-3-12(8-17)5-13(4-11)9-17/h1-2,6,11-13,20H,3-5,7-10H2/p+1