2-adamantyl-[[5-(3-chloranyl-4-fluoranyl-phenyl)furan-2-yl]methyl]azanium

Systemtic Name: 2-adamantyl-[[5-(3-chloranyl-4-fluoranyl-phenyl)furan-2-yl]methyl]azanium Openeye Name: 2-adamantyl-[[5-(3-chloro-4-fluoro-phenyl)-2-furyl]methyl]ammonium CAS Name: 2-adamantyl-[[5-(3-chloro-4-fluorophenyl)-2-furanyl]methyl]ammonium IUPAC Name: 2-adamantyl-[[5-(3-chloro-4-fluorophenyl)furan-2-yl]methyl]azanium Traditional Name: 2-adamantyl-[[5-(3-chloro-4-fluoro-phenyl)-2-furyl]methyl]ammonium Formula: C21H24ClFNO+ MolecularWeight: 360.872763

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)C3[NH2+]CC4=CC=C(O4)C5=CC(=C(C=C5)F)Cl

Isomeric SMILES

C1C2CC3CC1CC(C2)C3[NH2+]CC4=CC=C(O4)C5=CC(=C(C=C5)F)Cl

InChI

InChI=1S/C21H23ClFNO/c22-18-10-14(1-3-19(18)23)20-4-2-17(25-20)11-24-21-15-6-12-5-13(8-15)9-16(21)7-12/h1-4,10,12-13,15-16,21,24H,5-9,11H2/p+1