1-adamantyl-[[2-[(2-chloranyl-4-fluoranyl-phenyl)methoxy]-3-methoxy-phenyl]methyl]azanium

Systemtic Name: 1-adamantyl-[[2-[(2-chloranyl-4-fluoranyl-phenyl)methoxy]-3-methoxy-phenyl]methyl]azanium Openeye Name: 1-adamantyl-[[2-[(2-chloro-4-fluoro-phenyl)methoxy]-3-methoxy-phenyl]methyl]ammonium CAS Name: 1-adamantyl-[[2-[(2-chloro-4-fluorophenyl)methoxy]-3-methoxyphenyl]methyl]ammonium IUPAC Name: 1-adamantyl-[[2-[(2-chloro-4-fluorophenyl)methoxy]-3-methoxyphenyl]methyl]azanium Traditional Name: 1-adamantyl-[2-(2-chloro-4-fluoro-benzyl)oxy-3-methoxy-benzyl]ammonium Formula: C25H30ClFNO2+ MolecularWeight: 430.962603

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1OCC2=C(C=C(C=C2)F)Cl)C[NH2+]C34CC5CC(C3)CC(C5)C4

Isomeric SMILES

COC1=CC=CC(=C1OCC2=C(C=C(C=C2)F)Cl)C[NH2+]C34CC5CC(C3)CC(C5)C4

InChI

InChI=1S/C25H29ClFNO2/c1-29-23-4-2-3-19(24(23)30-15-20-5-6-21(27)10-22(20)26)14-28-25-11-16-7-17(12-25)9-18(8-16)13-25/h2-6,10,16-18,28H,7-9,11-15H2,1H3/p+1