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

Systemtic Name: [3-chloranyl-5-ethoxy-4-[(2-fluorophenyl)methoxy]phenyl]methyl-cyclooctyl-azanium Openeye Name: [3-chloro-5-ethoxy-4-[(2-fluorophenyl)methoxy]phenyl]methyl-cyclooctyl-ammonium CAS Name: [3-chloro-5-ethoxy-4-[(2-fluorophenyl)methoxy]phenyl]methyl-cyclooctylammonium IUPAC Name: [3-chloro-5-ethoxy-4-[(2-fluorophenyl)methoxy]phenyl]methyl-cyclooctylazanium Traditional Name: [3-chloro-5-ethoxy-4-(2-fluorobenzyl)oxy-benzyl]-cyclooctyl-ammonium Formula: C24H32ClFNO2+ MolecularWeight: 420.967783

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C(=CC(=C1)C[NH2+]C2CCCCCCC2)Cl)OCC3=CC=CC=C3F

Isomeric SMILES

CCOC1=C(C(=CC(=C1)C[NH2+]C2CCCCCCC2)Cl)OCC3=CC=CC=C3F

InChI

InChI=1S/C24H31ClFNO2/c1-2-28-23-15-18(16-27-20-11-6-4-3-5-7-12-20)14-21(25)24(23)29-17-19-10-8-9-13-22(19)26/h8-10,13-15,20,27H,2-7,11-12,16-17H2,1H3/p+1