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

Systemtic Name: 1-adamantyl-[[4-[(2-chloranyl-4-fluoranyl-phenyl)methoxy]-3-methoxy-phenyl]methyl]azanium Openeye Name: 1-adamantyl-[[4-[(2-chloro-4-fluoro-phenyl)methoxy]-3-methoxy-phenyl]methyl]ammonium CAS Name: 1-adamantyl-[[4-[(2-chloro-4-fluorophenyl)methoxy]-3-methoxyphenyl]methyl]ammonium IUPAC Name: 1-adamantyl-[[4-[(2-chloro-4-fluorophenyl)methoxy]-3-methoxyphenyl]methyl]azanium Traditional Name: 1-adamantyl-[4-(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=C(C=CC(=C1)C[NH2+]C23CC4CC(C2)CC(C4)C3)OCC5=C(C=C(C=C5)F)Cl

Isomeric SMILES

COC1=C(C=CC(=C1)C[NH2+]C23CC4CC(C2)CC(C4)C3)OCC5=C(C=C(C=C5)F)Cl

InChI

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