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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C(=CC(=C1)C[NH2+]C2CCCCCCC2)Cl)OCC3=CC=C(C=C3)F

Isomeric SMILES

CCOC1=C(C(=CC(=C1)C[NH2+]C2CCCCCCC2)Cl)OCC3=CC=C(C=C3)F

InChI

InChI=1S/C24H31ClFNO2/c1-2-28-23-15-19(16-27-21-8-6-4-3-5-7-9-21)14-22(25)24(23)29-17-18-10-12-20(26)13-11-18/h10-15,21,27H,2-9,16-17H2,1H3/p+1