1-adamantyl-[(3-bromanyl-4-fluoranyl-phenyl)methyl]azanium

Systemtic Name: 1-adamantyl-[(3-bromanyl-4-fluoranyl-phenyl)methyl]azanium Openeye Name: 1-adamantyl-[(3-bromo-4-fluoro-phenyl)methyl]ammonium CAS Name: 1-adamantyl-[(3-bromo-4-fluorophenyl)methyl]ammonium IUPAC Name: 1-adamantyl-[(3-bromo-4-fluorophenyl)methyl]azanium Traditional Name: 1-adamantyl-(3-bromo-4-fluoro-benzyl)ammonium Formula: C17H22BrFN+ MolecularWeight: 339.265683

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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