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

Systemtic Name: (5-bromanyl-2-phenylmethoxy-phenyl)methyl-[2-(4-methoxyphenyl)ethyl]azanium Openeye Name: (2-benzyloxy-5-bromo-phenyl)methyl-[2-(4-methoxyphenyl)ethyl]ammonium CAS Name: (5-bromo-2-phenylmethoxyphenyl)methyl-[2-(4-methoxyphenyl)ethyl]ammonium IUPAC Name: (5-bromo-2-phenylmethoxyphenyl)methyl-[2-(4-methoxyphenyl)ethyl]azanium Traditional Name: (2-benzoxy-5-bromo-benzyl)-[2-(4-methoxyphenyl)ethyl]ammonium Formula: C23H25BrNO2+ MolecularWeight: 427.3541

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H24BrNO2/c1-26-22-10-7-18(8-11-22)13-14-25-16-20-15-21(24)9-12-23(20)27-17-19-5-3-2-4-6-19/h2-12,15,25H,13-14,16-17H2,1H3/p+1