1-adamantyl-[(4-cyano-2-fluoranyl-phenyl)methyl]azanium

Systemtic Name: 1-adamantyl-[(4-cyano-2-fluoranyl-phenyl)methyl]azanium Openeye Name: 1-adamantyl-[(4-cyano-2-fluoro-phenyl)methyl]ammonium CAS Name: 1-adamantyl-[(4-cyano-2-fluorophenyl)methyl]ammonium IUPAC Name: 1-adamantyl-[(4-cyano-2-fluorophenyl)methyl]azanium Traditional Name: 1-adamantyl-(4-cyano-2-fluoro-benzyl)ammonium Formula: C18H22FN2+ MolecularWeight: 285.379083

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)[NH2+]CC4=C(C=C(C=C4)C#N)F

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)[NH2+]CC4=C(C=C(C=C4)C#N)F

InChI

InChI=1S/C18H21FN2/c19-17-6-12(10-20)1-2-16(17)11-21-18-7-13-3-14(8-18)5-15(4-13)9-18/h1-2,6,13-15,21H,3-5,7-9,11H2/p+1