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

Systemtic Name: 2-[[4-(2-azanyl-2-oxidanylidene-ethoxy)-3-methoxy-phenyl]methylazaniumyl]ethyl-dimethyl-azanium dichloride Openeye Name: 2-[[4-(2-amino-2-oxo-ethoxy)-3-methoxy-phenyl]methylammonio]ethyl-dimethyl-ammonium dichloride CAS Name: 2-[[4-(2-amino-2-oxoethoxy)-3-methoxyphenyl]methylammonio]ethyl-dimethylammonium dichloride IUPAC Name: 2-[[4-(2-amino-2-oxoethoxy)-3-methoxyphenyl]methylazaniumyl]ethyl-dimethylazanium dichloride Traditional Name: 2-[[4-(2-amino-2-keto-ethoxy)-3-methoxy-benzyl]ammonio]ethyl-dimethyl-ammonium dichloride Formula: C14H25Cl2N3O3 MolecularWeight: 354.2726

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H23N3O3.2ClH/c1-17(2)7-6-16-9-11-4-5-12(13(8-11)19-3)20-10-14(15)18;;/h4-5,8,16H,6-7,9-10H2,1-3H3,(H2,15,18);2*1H