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

Systemtic Name: 2-adamantyl-[[4-[(2-chloranyl-4-fluoranyl-phenyl)methoxy]-3-methoxy-phenyl]methyl]azanium Openeye Name: 2-adamantyl-[[4-[(2-chloro-4-fluoro-phenyl)methoxy]-3-methoxy-phenyl]methyl]ammonium CAS Name: 2-adamantyl-[[4-[(2-chloro-4-fluorophenyl)methoxy]-3-methoxyphenyl]methyl]ammonium IUPAC Name: 2-adamantyl-[[4-[(2-chloro-4-fluorophenyl)methoxy]-3-methoxyphenyl]methyl]azanium Traditional Name: 2-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+]C2C3CC4CC(C3)CC2C4)OCC5=C(C=C(C=C5)F)Cl

Isomeric SMILES

COC1=C(C=CC(=C1)C[NH2+]C2C3CC4CC(C3)CC2C4)OCC5=C(C=C(C=C5)F)Cl

InChI

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