2-[[2-(2-azanyl-2-oxidanylidene-ethoxy)-5-bromanyl-phenyl]methylazaniumyl]ethyl-dimethyl-azanium

Systemtic Name: 2-[[2-(2-azanyl-2-oxidanylidene-ethoxy)-5-bromanyl-phenyl]methylazaniumyl]ethyl-dimethyl-azanium Openeye Name: 2-[[2-(2-amino-2-oxo-ethoxy)-5-bromo-phenyl]methylammonio]ethyl-dimethyl-ammonium CAS Name: 2-[[2-(2-amino-2-oxoethoxy)-5-bromophenyl]methylammonio]ethyl-dimethylammonium IUPAC Name: 2-[[2-(2-amino-2-oxoethoxy)-5-bromophenyl]methylazaniumyl]ethyl-dimethylazanium Traditional Name: 2-[[2-(2-amino-2-keto-ethoxy)-5-bromo-benzyl]ammonio]ethyl-dimethyl-ammonium Formula: C13H22BrN3O2+2 MolecularWeight: 332.23668

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)CC[NH2+]CC1=C(C=CC(=C1)Br)OCC(=O)N

Isomeric SMILES

C[NH+](C)CC[NH2+]CC1=C(C=CC(=C1)Br)OCC(=O)N

InChI

InChI=1S/C13H20BrN3O2/c1-17(2)6-5-16-8-10-7-11(14)3-4-12(10)19-9-13(15)18/h3-4,7,16H,5-6,8-9H2,1-2H3,(H2,15,18)/p+2