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

Systemtic Name: [5-bromanyl-2-[(4-chlorophenyl)methoxy]phenyl]methyl-hexyl-azanium Openeye Name: [5-bromo-2-[(4-chlorophenyl)methoxy]phenyl]methyl-hexyl-ammonium CAS Name: [5-bromo-2-[(4-chlorophenyl)methoxy]phenyl]methyl-hexylammonium IUPAC Name: [5-bromo-2-[(4-chlorophenyl)methoxy]phenyl]methyl-hexylazanium Traditional Name: [5-bromo-2-(4-chlorobenzyl)oxy-benzyl]-hexyl-ammonium Formula: C20H26BrClNO+ MolecularWeight: 411.78354

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H25BrClNO/c1-2-3-4-5-12-23-14-17-13-18(21)8-11-20(17)24-15-16-6-9-19(22)10-7-16/h6-11,13,23H,2-5,12,14-15H2,1H3/p+1