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

Systemtic Name: hexyl-[[3-methoxy-4-[(3-methylphenyl)methoxy]phenyl]methyl]azanium Openeye Name: hexyl-[[3-methoxy-4-(m-tolylmethoxy)phenyl]methyl]ammonium CAS Name: hexyl-[[3-methoxy-4-[(3-methylphenyl)methoxy]phenyl]methyl]ammonium IUPAC Name: hexyl-[[3-methoxy-4-[(3-methylphenyl)methoxy]phenyl]methyl]azanium Traditional Name: hexyl-[3-methoxy-4-(3-methylbenzyl)oxy-benzyl]ammonium Formula: C22H32NO2+ MolecularWeight: 342.49498

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H31NO2/c1-4-5-6-7-13-23-16-19-11-12-21(22(15-19)24-3)25-17-20-10-8-9-18(2)14-20/h8-12,14-15,23H,4-7,13,16-17H2,1-3H3/p+1