4-[[[3-bromanyl-4-[(2-chlorophenyl)methoxy]-5-ethoxy-phenyl]methylazaniumyl]methyl]benzoate

Systemtic Name: 4-[[[3-bromanyl-4-[(2-chlorophenyl)methoxy]-5-ethoxy-phenyl]methylazaniumyl]methyl]benzoate Openeye Name: 4-[[[3-bromo-4-[(2-chlorophenyl)methoxy]-5-ethoxy-phenyl]methylammonio]methyl]benzoate CAS Name: 4-[[[3-bromo-4-[(2-chlorophenyl)methoxy]-5-ethoxyphenyl]methylammonio]methyl]benzoate IUPAC Name: 4-[[[3-bromo-4-[(2-chlorophenyl)methoxy]-5-ethoxyphenyl]methylazaniumyl]methyl]benzoate Traditional Name: 4-[[[3-bromo-4-(2-chlorobenzyl)oxy-5-ethoxy-benzyl]ammonio]methyl]benzoate Formula: C24H23BrClNO4 MolecularWeight: 504.80072

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C(=CC(=C1)C[NH2+]CC2=CC=C(C=C2)C(=O)[O-])Br)OCC3=CC=CC=C3Cl

Isomeric SMILES

CCOC1=C(C(=CC(=C1)C[NH2+]CC2=CC=C(C=C2)C(=O)[O-])Br)OCC3=CC=CC=C3Cl

InChI

InChI=1S/C24H23BrClNO4/c1-2-30-22-12-17(14-27-13-16-7-9-18(10-8-16)24(28)29)11-20(25)23(22)31-15-19-5-3-4-6-21(19)26/h3-12,27H,2,13-15H2,1H3,(H,28,29)