[4-(2-azanyl-2-oxidanylidene-ethoxy)-3-bromanyl-5-methoxy-phenyl]methyl-phenethyl-azanium chloride

Systemtic Name: [4-(2-azanyl-2-oxidanylidene-ethoxy)-3-bromanyl-5-methoxy-phenyl]methyl-phenethyl-azanium chloride Openeye Name: [4-(2-amino-2-oxo-ethoxy)-3-bromo-5-methoxy-phenyl]methyl-phenethyl-ammonium chloride CAS Name: [4-(2-amino-2-oxoethoxy)-3-bromo-5-methoxyphenyl]methyl-phenethylammonium chloride IUPAC Name: [4-(2-amino-2-oxoethoxy)-3-bromo-5-methoxyphenyl]methyl-phenethylazanium chloride Traditional Name: [4-(2-amino-2-keto-ethoxy)-3-bromo-5-methoxy-benzyl]-phenethyl-ammonium chloride Formula: C18H22BrClN2O3 MolecularWeight: 429.73588

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H21BrN2O3.ClH/c1-23-16-10-14(9-15(19)18(16)24-12-17(20)22)11-21-8-7-13-5-3-2-4-6-13;/h2-6,9-10,21H,7-8,11-12H2,1H3,(H2,20,22);1H