3-[[4-(2-azanyl-2-oxidanylidene-ethoxy)-3-bromanyl-5-methoxy-phenyl]methylazaniumyl]propyl-dimethyl-azanium dichloride

Systemtic Name: 3-[[4-(2-azanyl-2-oxidanylidene-ethoxy)-3-bromanyl-5-methoxy-phenyl]methylazaniumyl]propyl-dimethyl-azanium dichloride Openeye Name: 3-[[4-(2-amino-2-oxo-ethoxy)-3-bromo-5-methoxy-phenyl]methylammonio]propyl-dimethyl-ammonium dichloride CAS Name: 3-[[4-(2-amino-2-oxoethoxy)-3-bromo-5-methoxyphenyl]methylammonio]propyl-dimethylammonium dichloride IUPAC Name: 3-[[4-(2-amino-2-oxoethoxy)-3-bromo-5-methoxyphenyl]methylazaniumyl]propyl-dimethylazanium dichloride Traditional Name: 3-[[4-(2-amino-2-keto-ethoxy)-3-bromo-5-methoxy-benzyl]ammonio]propyl-dimethyl-ammonium dichloride Formula: C15H26BrCl2N3O3 MolecularWeight: 447.19524

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)CCC[NH2+]CC1=CC(=C(C(=C1)Br)OCC(=O)N)OC.[Cl-].[Cl-]

Isomeric SMILES

C[NH+](C)CCC[NH2+]CC1=CC(=C(C(=C1)Br)OCC(=O)N)OC.[Cl-].[Cl-]

InChI

InChI=1S/C15H24BrN3O3.2ClH/c1-19(2)6-4-5-18-9-11-7-12(16)15(13(8-11)21-3)22-10-14(17)20;;/h7-8,18H,4-6,9-10H2,1-3H3,(H2,17,20);2*1H