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

Systemtic Name: (3-bromanyl-5-ethoxy-4-phenylmethoxy-phenyl)methyl-[2-(3,4-dimethoxyphenyl)ethyl]azanium Openeye Name: (4-benzyloxy-3-bromo-5-ethoxy-phenyl)methyl-[2-(3,4-dimethoxyphenyl)ethyl]ammonium CAS Name: (3-bromo-5-ethoxy-4-phenylmethoxyphenyl)methyl-[2-(3,4-dimethoxyphenyl)ethyl]ammonium IUPAC Name: (3-bromo-5-ethoxy-4-phenylmethoxyphenyl)methyl-[2-(3,4-dimethoxyphenyl)ethyl]azanium Traditional Name: (4-benzoxy-3-bromo-5-ethoxy-benzyl)-homoveratryl-ammonium Formula: C26H31BrNO4+ MolecularWeight: 501.43264

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C(=CC(=C1)C[NH2+]CCC2=CC(=C(C=C2)OC)OC)Br)OCC3=CC=CC=C3

Isomeric SMILES

CCOC1=C(C(=CC(=C1)C[NH2+]CCC2=CC(=C(C=C2)OC)OC)Br)OCC3=CC=CC=C3

InChI

InChI=1S/C26H30BrNO4/c1-4-31-25-16-21(14-22(27)26(25)32-18-20-8-6-5-7-9-20)17-28-13-12-19-10-11-23(29-2)24(15-19)30-3/h5-11,14-16,28H,4,12-13,17-18H2,1-3H3/p+1