[4-(2-azanyl-2-oxidanylidene-ethoxy)-3-bromanyl-5-methoxy-phenyl]methyl-(3-morpholin-4-ium-4-ylpropyl)azanium dichloride

Systemtic Name: [4-(2-azanyl-2-oxidanylidene-ethoxy)-3-bromanyl-5-methoxy-phenyl]methyl-(3-morpholin-4-ium-4-ylpropyl)azanium dichloride Openeye Name: [4-(2-amino-2-oxo-ethoxy)-3-bromo-5-methoxy-phenyl]methyl-(3-morpholin-4-ium-4-ylpropyl)ammonium dichloride CAS Name: [4-(2-amino-2-oxoethoxy)-3-bromo-5-methoxyphenyl]methyl-[3-(4-morpholin-4-iumyl)propyl]ammonium dichloride IUPAC Name: [4-(2-amino-2-oxoethoxy)-3-bromo-5-methoxyphenyl]methyl-(3-morpholin-4-ium-4-ylpropyl)azanium dichloride Traditional Name: [4-(2-amino-2-keto-ethoxy)-3-bromo-5-methoxy-benzyl]-(3-morpholin-4-ium-4-ylpropyl)ammonium dichloride Formula: C17H28BrCl2N3O4 MolecularWeight: 489.23192

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=CC(=C1)C[NH2+]CCC[NH+]2CCOCC2)Br)OCC(=O)N.[Cl-].[Cl-]

Isomeric SMILES

COC1=C(C(=CC(=C1)C[NH2+]CCC[NH+]2CCOCC2)Br)OCC(=O)N.[Cl-].[Cl-]

InChI

InChI=1S/C17H26BrN3O4.2ClH/c1-23-15-10-13(9-14(18)17(15)25-12-16(19)22)11-20-3-2-4-21-5-7-24-8-6-21;;/h9-10,20H,2-8,11-12H2,1H3,(H2,19,22);2*1H