1-adamantyl-[2-[(3-chloranyl-4-fluoranyl-phenyl)amino]-2-oxidanylidene-ethyl]azanium

Systemtic Name: 1-adamantyl-[2-[(3-chloranyl-4-fluoranyl-phenyl)amino]-2-oxidanylidene-ethyl]azanium Openeye Name: 1-adamantyl-[2-(3-chloro-4-fluoro-anilino)-2-oxo-ethyl]ammonium CAS Name: 1-adamantyl-[2-(3-chloro-4-fluoroanilino)-2-oxoethyl]ammonium IUPAC Name: 1-adamantyl-[2-(3-chloro-4-fluoroanilino)-2-oxoethyl]azanium Traditional Name: 1-adamantyl-[2-(3-chloro-4-fluoro-anilino)-2-keto-ethyl]ammonium Formula: C18H23ClFN2O+ MolecularWeight: 337.839423

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H22ClFN2O/c19-15-6-14(1-2-16(15)20)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