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

Systemtic Name: 2-[[4-(2-azanyl-2-oxidanylidene-ethoxy)-3-chloranyl-5-methoxy-phenyl]methylazaniumyl]ethyl-dimethyl-azanium dichloride Openeye Name: 2-[[4-(2-amino-2-oxo-ethoxy)-3-chloro-5-methoxy-phenyl]methylammonio]ethyl-dimethyl-ammonium dichloride CAS Name: 2-[[4-(2-amino-2-oxoethoxy)-3-chloro-5-methoxyphenyl]methylammonio]ethyl-dimethylammonium dichloride IUPAC Name: 2-[[4-(2-amino-2-oxoethoxy)-3-chloro-5-methoxyphenyl]methylazaniumyl]ethyl-dimethylazanium dichloride Traditional Name: 2-[[4-(2-amino-2-keto-ethoxy)-3-chloro-5-methoxy-benzyl]ammonio]ethyl-dimethyl-ammonium dichloride Formula: C14H24Cl3N3O3 MolecularWeight: 388.71766

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H22ClN3O3.2ClH/c1-18(2)5-4-17-8-10-6-11(15)14(12(7-10)20-3)21-9-13(16)19;;/h6-7,17H,4-5,8-9H2,1-3H3,(H2,16,19);2*1H