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

Systemtic Name: [3-chloranyl-5-ethoxy-4-[(2-fluorophenyl)methoxy]phenyl]methyl-hexyl-azanium Openeye Name: [3-chloro-5-ethoxy-4-[(2-fluorophenyl)methoxy]phenyl]methyl-hexyl-ammonium CAS Name: [3-chloro-5-ethoxy-4-[(2-fluorophenyl)methoxy]phenyl]methyl-hexylammonium IUPAC Name: [3-chloro-5-ethoxy-4-[(2-fluorophenyl)methoxy]phenyl]methyl-hexylazanium Traditional Name: [3-chloro-5-ethoxy-4-(2-fluorobenzyl)oxy-benzyl]-hexyl-ammonium Formula: C22H30ClFNO2+ MolecularWeight: 394.930503

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC[NH2+]CC1=CC(=C(C(=C1)Cl)OCC2=CC=CC=C2F)OCC

Isomeric SMILES

CCCCCC[NH2+]CC1=CC(=C(C(=C1)Cl)OCC2=CC=CC=C2F)OCC

InChI

InChI=1S/C22H29ClFNO2/c1-3-5-6-9-12-25-15-17-13-19(23)22(21(14-17)26-4-2)27-16-18-10-7-8-11-20(18)24/h7-8,10-11,13-14,25H,3-6,9,12,15-16H2,1-2H3/p+1