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

Systemtic Name: [4-(2-azanyl-2-oxidanylidene-ethoxy)-2-bromanyl-5-methoxy-phenyl]methyl-(2-hydroxyethyl)azanium Openeye Name: [4-(2-amino-2-oxo-ethoxy)-2-bromo-5-methoxy-phenyl]methyl-(2-hydroxyethyl)ammonium CAS Name: [4-(2-amino-2-oxoethoxy)-2-bromo-5-methoxyphenyl]methyl-(2-hydroxyethyl)ammonium IUPAC Name: [4-(2-amino-2-oxoethoxy)-2-bromo-5-methoxyphenyl]methyl-(2-hydroxyethyl)azanium Traditional Name: [4-(2-amino-2-keto-ethoxy)-2-bromo-5-methoxy-benzyl]-(2-hydroxyethyl)ammonium Formula: C12H18BrN2O4+ MolecularWeight: 334.18632

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C(=C1)C[NH2+]CCO)Br)OCC(=O)N

Isomeric SMILES

COC1=C(C=C(C(=C1)C[NH2+]CCO)Br)OCC(=O)N

InChI

InChI=1S/C12H17BrN2O4/c1-18-10-4-8(6-15-2-3-16)9(13)5-11(10)19-7-12(14)17/h4-5,15-16H,2-3,6-7H2,1H3,(H2,14,17)/p+1