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

Systemtic Name: (3-bromanyl-5-ethoxy-4-phenylmethoxy-phenyl)methyl-[2-(2-hydroxyethyloxy)ethyl]azanium Openeye Name: (4-benzyloxy-3-bromo-5-ethoxy-phenyl)methyl-[2-(2-hydroxyethoxy)ethyl]ammonium CAS Name: (3-bromo-5-ethoxy-4-phenylmethoxyphenyl)methyl-[2-(2-hydroxyethoxy)ethyl]ammonium IUPAC Name: (3-bromo-5-ethoxy-4-phenylmethoxyphenyl)methyl-[2-(2-hydroxyethoxy)ethyl]azanium Traditional Name: (4-benzoxy-3-bromo-5-ethoxy-benzyl)-[2-(2-hydroxyethoxy)ethyl]ammonium Formula: C20H27BrNO4+ MolecularWeight: 425.33668

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C(=CC(=C1)C[NH2+]CCOCCO)Br)OCC2=CC=CC=C2

Isomeric SMILES

CCOC1=C(C(=CC(=C1)C[NH2+]CCOCCO)Br)OCC2=CC=CC=C2

InChI

InChI=1S/C20H26BrNO4/c1-2-25-19-13-17(14-22-8-10-24-11-9-23)12-18(21)20(19)26-15-16-6-4-3-5-7-16/h3-7,12-13,22-23H,2,8-11,14-15H2,1H3/p+1