(3-bromanyl-5-methoxy-4-phenylmethoxy-phenyl)methyl-[2-(4-methoxyphenyl)ethyl]azanium

Systemtic Name: (3-bromanyl-5-methoxy-4-phenylmethoxy-phenyl)methyl-[2-(4-methoxyphenyl)ethyl]azanium Openeye Name: (4-benzyloxy-3-bromo-5-methoxy-phenyl)methyl-[2-(4-methoxyphenyl)ethyl]ammonium CAS Name: (3-bromo-5-methoxy-4-phenylmethoxyphenyl)methyl-[2-(4-methoxyphenyl)ethyl]ammonium IUPAC Name: (3-bromo-5-methoxy-4-phenylmethoxyphenyl)methyl-[2-(4-methoxyphenyl)ethyl]azanium Traditional Name: (4-benzoxy-3-bromo-5-methoxy-benzyl)-[2-(4-methoxyphenyl)ethyl]ammonium Formula: C24H27BrNO3+ MolecularWeight: 457.38008

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)CC[NH2+]CC2=CC(=C(C(=C2)Br)OCC3=CC=CC=C3)OC

Isomeric SMILES

COC1=CC=C(C=C1)CC[NH2+]CC2=CC(=C(C(=C2)Br)OCC3=CC=CC=C3)OC

InChI

InChI=1S/C24H26BrNO3/c1-27-21-10-8-18(9-11-21)12-13-26-16-20-14-22(25)24(23(15-20)28-2)29-17-19-6-4-3-5-7-19/h3-11,14-15,26H,12-13,16-17H2,1-2H3/p+1