[(S)-1-adamantyl-[2,4-bis(fluoranyl)phenyl]methyl]azanium

Systemtic Name: [(S)-1-adamantyl-[2,4-bis(fluoranyl)phenyl]methyl]azanium Openeye Name: [(S)-1-adamantyl-(2,4-difluorophenyl)methyl]ammonium CAS Name: [(S)-1-adamantyl-(2,4-difluorophenyl)methyl]ammonium IUPAC Name: [(S)-1-adamantyl-(2,4-difluorophenyl)methyl]azanium Traditional Name: [(S)-1-adamantyl-(2,4-difluorophenyl)methyl]ammonium Formula: C17H22F2N+ MolecularWeight: 278.360086

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)C(C4=C(C=C(C=C4)F)F)[NH3+]

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)[C@@H](C4=C(C=C(C=C4)F)F)[NH3+]

InChI

InChI=1S/C17H21F2N/c18-13-1-2-14(15(19)6-13)16(20)17-7-10-3-11(8-17)5-12(4-10)9-17/h1-2,6,10-12,16H,3-5,7-9,20H2/p+1/t10?,11?,12?,16-,17?/m1/s1