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

Systemtic Name: (3-bromanyl-5-ethoxy-4-phenylmethoxy-phenyl)methyl-[(4-methoxyphenyl)methyl]azanium Openeye Name: (4-benzyloxy-3-bromo-5-ethoxy-phenyl)methyl-[(4-methoxyphenyl)methyl]ammonium CAS Name: (3-bromo-5-ethoxy-4-phenylmethoxyphenyl)methyl-[(4-methoxyphenyl)methyl]ammonium IUPAC Name: (3-bromo-5-ethoxy-4-phenylmethoxyphenyl)methyl-[(4-methoxyphenyl)methyl]azanium Traditional Name: (4-benzoxy-3-bromo-5-ethoxy-benzyl)-p-anisyl-ammonium Formula: C24H27BrNO3+ MolecularWeight: 457.38008

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C(=CC(=C1)C[NH2+]CC2=CC=C(C=C2)OC)Br)OCC3=CC=CC=C3

Isomeric SMILES

CCOC1=C(C(=CC(=C1)C[NH2+]CC2=CC=C(C=C2)OC)Br)OCC3=CC=CC=C3

InChI

InChI=1S/C24H26BrNO3/c1-3-28-23-14-20(16-26-15-18-9-11-21(27-2)12-10-18)13-22(25)24(23)29-17-19-7-5-4-6-8-19/h4-14,26H,3,15-17H2,1-2H3/p+1