2-adamantyl-[[3-chloranyl-5-ethoxy-4-[(2-fluorophenyl)methoxy]phenyl]methyl]azanium

Systemtic Name: 2-adamantyl-[[3-chloranyl-5-ethoxy-4-[(2-fluorophenyl)methoxy]phenyl]methyl]azanium Openeye Name: 2-adamantyl-[[3-chloro-5-ethoxy-4-[(2-fluorophenyl)methoxy]phenyl]methyl]ammonium CAS Name: 2-adamantyl-[[3-chloro-5-ethoxy-4-[(2-fluorophenyl)methoxy]phenyl]methyl]ammonium IUPAC Name: 2-adamantyl-[[3-chloro-5-ethoxy-4-[(2-fluorophenyl)methoxy]phenyl]methyl]azanium Traditional Name: 2-adamantyl-[3-chloro-5-ethoxy-4-(2-fluorobenzyl)oxy-benzyl]ammonium Formula: C26H32ClFNO2+ MolecularWeight: 444.989183

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C(=CC(=C1)C[NH2+]C2C3CC4CC(C3)CC2C4)Cl)OCC5=CC=CC=C5F

Isomeric SMILES

CCOC1=C(C(=CC(=C1)C[NH2+]C2C3CC4CC(C3)CC2C4)Cl)OCC5=CC=CC=C5F

InChI

InChI=1S/C26H31ClFNO2/c1-2-30-24-13-18(12-22(27)26(24)31-15-19-5-3-4-6-23(19)28)14-29-25-20-8-16-7-17(10-20)11-21(25)9-16/h3-6,12-13,16-17,20-21,25,29H,2,7-11,14-15H2,1H3/p+1