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

Systemtic Name: [3-bromanyl-5-methoxy-4-[(4-methylphenyl)methoxy]phenyl]methyl-ethyl-azanium Openeye Name: [3-bromo-5-methoxy-4-(p-tolylmethoxy)phenyl]methyl-ethyl-ammonium CAS Name: [3-bromo-5-methoxy-4-[(4-methylphenyl)methoxy]phenyl]methyl-ethylammonium IUPAC Name: [3-bromo-5-methoxy-4-[(4-methylphenyl)methoxy]phenyl]methyl-ethylazanium Traditional Name: [3-bromo-5-methoxy-4-(4-methylbenzyl)oxy-benzyl]-ethyl-ammonium Formula: C18H23BrNO2+ MolecularWeight: 365.28472

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H22BrNO2/c1-4-20-11-15-9-16(19)18(17(10-15)21-3)22-12-14-7-5-13(2)6-8-14/h5-10,20H,4,11-12H2,1-3H3/p+1