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

Systemtic Name: (5-bromanyl-3-methoxy-2-phenylmethoxy-phenyl)methyl-[2-(3,4-dimethoxyphenyl)ethyl]azanium Openeye Name: (2-benzyloxy-5-bromo-3-methoxy-phenyl)methyl-[2-(3,4-dimethoxyphenyl)ethyl]ammonium CAS Name: (5-bromo-3-methoxy-2-phenylmethoxyphenyl)methyl-[2-(3,4-dimethoxyphenyl)ethyl]ammonium IUPAC Name: (5-bromo-3-methoxy-2-phenylmethoxyphenyl)methyl-[2-(3,4-dimethoxyphenyl)ethyl]azanium Traditional Name: (2-benzoxy-5-bromo-3-methoxy-benzyl)-homoveratryl-ammonium Formula: C25H29BrNO4+ MolecularWeight: 487.40606

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CC[NH2+]CC2=CC(=CC(=C2OCC3=CC=CC=C3)OC)Br)OC

Isomeric SMILES

COC1=C(C=C(C=C1)CC[NH2+]CC2=CC(=CC(=C2OCC3=CC=CC=C3)OC)Br)OC

InChI

InChI=1S/C25H28BrNO4/c1-28-22-10-9-18(13-23(22)29-2)11-12-27-16-20-14-21(26)15-24(30-3)25(20)31-17-19-7-5-4-6-8-19/h4-10,13-15,27H,11-12,16-17H2,1-3H3/p+1