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

Systemtic Name: 3-[[4-(2-azanyl-2-oxidanylidene-ethoxy)-3-methoxy-phenyl]methylazaniumyl]propyl-dimethyl-azanium dichloride Openeye Name: 3-[[4-(2-amino-2-oxo-ethoxy)-3-methoxy-phenyl]methylammonio]propyl-dimethyl-ammonium dichloride CAS Name: 3-[[4-(2-amino-2-oxoethoxy)-3-methoxyphenyl]methylammonio]propyl-dimethylammonium dichloride IUPAC Name: 3-[[4-(2-amino-2-oxoethoxy)-3-methoxyphenyl]methylazaniumyl]propyl-dimethylazanium dichloride Traditional Name: 3-[[4-(2-amino-2-keto-ethoxy)-3-methoxy-benzyl]ammonio]propyl-dimethyl-ammonium dichloride Formula: C15H27Cl2N3O3 MolecularWeight: 368.29918

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H25N3O3.2ClH/c1-18(2)8-4-7-17-10-12-5-6-13(14(9-12)20-3)21-11-15(16)19;;/h5-6,9,17H,4,7-8,10-11H2,1-3H3,(H2,16,19);2*1H