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

Systemtic Name: [3-bromanyl-5-ethoxy-4-[(4-methylphenyl)methoxy]phenyl]methyl-hexyl-azanium Openeye Name: [3-bromo-5-ethoxy-4-(p-tolylmethoxy)phenyl]methyl-hexyl-ammonium CAS Name: [3-bromo-5-ethoxy-4-[(4-methylphenyl)methoxy]phenyl]methyl-hexylammonium IUPAC Name: [3-bromo-5-ethoxy-4-[(4-methylphenyl)methoxy]phenyl]methyl-hexylazanium Traditional Name: [3-bromo-5-ethoxy-4-(4-methylbenzyl)oxy-benzyl]-hexyl-ammonium Formula: C23H33BrNO2+ MolecularWeight: 435.41762

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H32BrNO2/c1-4-6-7-8-13-25-16-20-14-21(24)23(22(15-20)26-5-2)27-17-19-11-9-18(3)10-12-19/h9-12,14-15,25H,4-8,13,16-17H2,1-3H3/p+1