1-adamantyl-[2-[[2,4-bis(fluoranyl)phenyl]amino]-2-oxidanylidene-ethyl]azanium

Systemtic Name: 1-adamantyl-[2-[[2,4-bis(fluoranyl)phenyl]amino]-2-oxidanylidene-ethyl]azanium Openeye Name: 1-adamantyl-[2-(2,4-difluoroanilino)-2-oxo-ethyl]ammonium CAS Name: 1-adamantyl-[2-(2,4-difluoroanilino)-2-oxoethyl]ammonium IUPAC Name: 1-adamantyl-[2-(2,4-difluoroanilino)-2-oxoethyl]azanium Traditional Name: 1-adamantyl-[2-(2,4-difluoroanilino)-2-keto-ethyl]ammonium Formula: C18H23F2N2O+ MolecularWeight: 321.384826

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)[NH2+]CC(=O)NC4=C(C=C(C=C4)F)F

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)[NH2+]CC(=O)NC4=C(C=C(C=C4)F)F

InChI

InChI=1S/C18H22F2N2O/c19-14-1-2-16(15(20)6-14)22-17(23)10-21-18-7-11-3-12(8-18)5-13(4-11)9-18/h1-2,6,11-13,21H,3-5,7-10H2,(H,22,23)/p+1