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

Systemtic Name: 2-adamantyl-[[2-[(2-chloranyl-4-fluoranyl-phenyl)methoxy]-3-methoxy-phenyl]methyl]azanium Openeye Name: 2-adamantyl-[[2-[(2-chloro-4-fluoro-phenyl)methoxy]-3-methoxy-phenyl]methyl]ammonium CAS Name: 2-adamantyl-[[2-[(2-chloro-4-fluorophenyl)methoxy]-3-methoxyphenyl]methyl]ammonium IUPAC Name: 2-adamantyl-[[2-[(2-chloro-4-fluorophenyl)methoxy]-3-methoxyphenyl]methyl]azanium Traditional Name: 2-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+]C3C4CC5CC(C4)CC3C5

Isomeric SMILES

COC1=CC=CC(=C1OCC2=C(C=C(C=C2)F)Cl)C[NH2+]C3C4CC5CC(C4)CC3C5

InChI

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