[3-bromanyl-4-[(2-chlorophenyl)methoxy]-5-ethoxy-phenyl]methyl-hexyl-azanium

Systemtic Name: [3-bromanyl-4-[(2-chlorophenyl)methoxy]-5-ethoxy-phenyl]methyl-hexyl-azanium Openeye Name: [3-bromo-4-[(2-chlorophenyl)methoxy]-5-ethoxy-phenyl]methyl-hexyl-ammonium CAS Name: [3-bromo-4-[(2-chlorophenyl)methoxy]-5-ethoxyphenyl]methyl-hexylammonium IUPAC Name: [3-bromo-4-[(2-chlorophenyl)methoxy]-5-ethoxyphenyl]methyl-hexylazanium Traditional Name: [3-bromo-4-(2-chlorobenzyl)oxy-5-ethoxy-benzyl]-hexyl-ammonium Formula: C22H30BrClNO2+ MolecularWeight: 455.8361

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCC[NH2+]CC1=CC(=C(C(=C1)Br)OCC2=CC=CC=C2Cl)OCC

Isomeric SMILES

CCCCCC[NH2+]CC1=CC(=C(C(=C1)Br)OCC2=CC=CC=C2Cl)OCC

InChI

InChI=1S/C22H29BrClNO2/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