(3-bromanyl-5-methoxy-4-prop-2-enoxy-phenyl)methyl-[(4-carboxyphenyl)methyl]azanium chloride

Systemtic Name: (3-bromanyl-5-methoxy-4-prop-2-enoxy-phenyl)methyl-[(4-carboxyphenyl)methyl]azanium chloride Openeye Name: (4-allyloxy-3-bromo-5-methoxy-phenyl)methyl-[(4-carboxyphenyl)methyl]ammonium chloride CAS Name: (3-bromo-5-methoxy-4-prop-2-enoxyphenyl)methyl-[(4-carboxyphenyl)methyl]ammonium chloride IUPAC Name: (3-bromo-5-methoxy-4-prop-2-enoxyphenyl)methyl-[(4-carboxyphenyl)methyl]azanium chloride Traditional Name: (4-allyloxy-3-bromo-5-methoxy-benzyl)-(4-carboxybenzyl)ammonium chloride Formula: C19H21BrClNO4 MolecularWeight: 442.73134

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=CC(=C1)C[NH2+]CC2=CC=C(C=C2)C(=O)O)Br)OCC=C.[Cl-]

Isomeric SMILES

COC1=C(C(=CC(=C1)C[NH2+]CC2=CC=C(C=C2)C(=O)O)Br)OCC=C.[Cl-]

InChI

InChI=1S/C19H20BrNO4.ClH/c1-3-8-25-18-16(20)9-14(10-17(18)24-2)12-21-11-13-4-6-15(7-5-13)19(22)23;/h3-7,9-10,21H,1,8,11-12H2,2H3,(H,22,23);1H