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

Systemtic Name: [4-[(2-chloranyl-4-fluoranyl-phenyl)methoxy]-3-methoxy-phenyl]methyl-hexyl-azanium Openeye Name: [4-[(2-chloro-4-fluoro-phenyl)methoxy]-3-methoxy-phenyl]methyl-hexyl-ammonium CAS Name: [4-[(2-chloro-4-fluorophenyl)methoxy]-3-methoxyphenyl]methyl-hexylammonium IUPAC Name: [4-[(2-chloro-4-fluorophenyl)methoxy]-3-methoxyphenyl]methyl-hexylazanium Traditional Name: [4-(2-chloro-4-fluoro-benzyl)oxy-3-methoxy-benzyl]-hexyl-ammonium Formula: C21H28ClFNO2+ MolecularWeight: 380.903923

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCC[NH2+]CC1=CC(=C(C=C1)OCC2=C(C=C(C=C2)F)Cl)OC

Isomeric SMILES

CCCCCC[NH2+]CC1=CC(=C(C=C1)OCC2=C(C=C(C=C2)F)Cl)OC

InChI

InChI=1S/C21H27ClFNO2/c1-3-4-5-6-11-24-14-16-7-10-20(21(12-16)25-2)26-15-17-8-9-18(23)13-19(17)22/h7-10,12-13,24H,3-6,11,14-15H2,1-2H3/p+1