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

Systemtic Name: [3-bromanyl-5-methoxy-4-[(4-methylphenyl)methoxy]phenyl]methyl-pentyl-azanium Openeye Name: [3-bromo-5-methoxy-4-(p-tolylmethoxy)phenyl]methyl-pentyl-ammonium CAS Name: [3-bromo-5-methoxy-4-[(4-methylphenyl)methoxy]phenyl]methyl-pentylammonium IUPAC Name: [3-bromo-5-methoxy-4-[(4-methylphenyl)methoxy]phenyl]methyl-pentylazanium Traditional Name: amyl-[3-bromo-5-methoxy-4-(4-methylbenzyl)oxy-benzyl]ammonium Formula: C21H29BrNO2+ MolecularWeight: 407.36446

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)OC

Isomeric SMILES

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

InChI

InChI=1S/C21H28BrNO2/c1-4-5-6-11-23-14-18-12-19(22)21(20(13-18)24-3)25-15-17-9-7-16(2)8-10-17/h7-10,12-13,23H,4-6,11,14-15H2,1-3H3/p+1