(3-bromanyl-5-methoxy-4-oxidanyl-phenyl)methyl-phenethyl-azanium chloride

Systemtic Name: (3-bromanyl-5-methoxy-4-oxidanyl-phenyl)methyl-phenethyl-azanium chloride Openeye Name: (3-bromo-4-hydroxy-5-methoxy-phenyl)methyl-phenethyl-ammonium chloride CAS Name: (3-bromo-4-hydroxy-5-methoxyphenyl)methyl-phenethylammonium chloride IUPAC Name: (3-bromo-4-hydroxy-5-methoxyphenyl)methyl-phenethylazanium chloride Traditional Name: (3-bromo-4-hydroxy-5-methoxy-benzyl)-phenethyl-ammonium chloride Formula: C16H19BrClNO2 MolecularWeight: 372.68456

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=CC(=C1)C[NH2+]CCC2=CC=CC=C2)Br)O.[Cl-]

Isomeric SMILES

COC1=C(C(=CC(=C1)C[NH2+]CCC2=CC=CC=C2)Br)O.[Cl-]

InChI

InChI=1S/C16H18BrNO2.ClH/c1-20-15-10-13(9-14(17)16(15)19)11-18-8-7-12-5-3-2-4-6-12;/h2-6,9-10,18-19H,7-8,11H2,1H3;1H