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

Systemtic Name: [3-bromanyl-5-ethoxy-4-[(4-methylphenyl)methoxy]phenyl]methyl-pentyl-azanium Openeye Name: [3-bromo-5-ethoxy-4-(p-tolylmethoxy)phenyl]methyl-pentyl-ammonium CAS Name: [3-bromo-5-ethoxy-4-[(4-methylphenyl)methoxy]phenyl]methyl-pentylammonium IUPAC Name: [3-bromo-5-ethoxy-4-[(4-methylphenyl)methoxy]phenyl]methyl-pentylazanium Traditional Name: amyl-[3-bromo-5-ethoxy-4-(4-methylbenzyl)oxy-benzyl]ammonium Formula: C22H31BrNO2+ MolecularWeight: 421.39104

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H30BrNO2/c1-4-6-7-12-24-15-19-13-20(23)22(21(14-19)25-5-2)26-16-18-10-8-17(3)9-11-18/h8-11,13-14,24H,4-7,12,15-16H2,1-3H3/p+1