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

Systemtic Name: [2-(2-azanyl-2-oxidanylidene-ethoxy)-5-bromanyl-phenyl]methyl-(2-morpholin-4-ium-4-ylethyl)azanium dichloride Openeye Name: [2-(2-amino-2-oxo-ethoxy)-5-bromo-phenyl]methyl-(2-morpholin-4-ium-4-ylethyl)ammonium dichloride CAS Name: [2-(2-amino-2-oxoethoxy)-5-bromophenyl]methyl-[2-(4-morpholin-4-iumyl)ethyl]ammonium dichloride IUPAC Name: [2-(2-amino-2-oxoethoxy)-5-bromophenyl]methyl-(2-morpholin-4-ium-4-ylethyl)azanium dichloride Traditional Name: [2-(2-amino-2-keto-ethoxy)-5-bromo-benzyl]-(2-morpholin-4-ium-4-ylethyl)ammonium dichloride Formula: C15H24BrCl2N3O3 MolecularWeight: 445.17936

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Descriptors Computed from Structure

Canonical SMILES:

C1COCC[NH+]1CC[NH2+]CC2=C(C=CC(=C2)Br)OCC(=O)N.[Cl-].[Cl-]

Isomeric SMILES

C1COCC[NH+]1CC[NH2+]CC2=C(C=CC(=C2)Br)OCC(=O)N.[Cl-].[Cl-]

InChI

InChI=1S/C15H22BrN3O3.2ClH/c16-13-1-2-14(22-11-15(17)20)12(9-13)10-18-3-4-19-5-7-21-8-6-19;;/h1-2,9,18H,3-8,10-11H2,(H2,17,20);2*1H