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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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