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

Systemtic Name: (3-bromanyl-5-ethoxy-4-phenylmethoxy-phenyl)methyl-[2-(4-methoxyphenyl)ethyl]azanium Openeye Name: (4-benzyloxy-3-bromo-5-ethoxy-phenyl)methyl-[2-(4-methoxyphenyl)ethyl]ammonium CAS Name: (3-bromo-5-ethoxy-4-phenylmethoxyphenyl)methyl-[2-(4-methoxyphenyl)ethyl]ammonium IUPAC Name: (3-bromo-5-ethoxy-4-phenylmethoxyphenyl)methyl-[2-(4-methoxyphenyl)ethyl]azanium Traditional Name: (4-benzoxy-3-bromo-5-ethoxy-benzyl)-[2-(4-methoxyphenyl)ethyl]ammonium Formula: C25H29BrNO3+ MolecularWeight: 471.40666

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H28BrNO3/c1-3-29-24-16-21(17-27-14-13-19-9-11-22(28-2)12-10-19)15-23(26)25(24)30-18-20-7-5-4-6-8-20/h4-12,15-16,27H,3,13-14,17-18H2,1-2H3/p+1