2-[[2-(2-azanyl-2-oxidanylidene-ethoxy)-3,5-bis(chloranyl)phenyl]methylazaniumyl]ethyl-dimethyl-azanium

Systemtic Name: 2-[[2-(2-azanyl-2-oxidanylidene-ethoxy)-3,5-bis(chloranyl)phenyl]methylazaniumyl]ethyl-dimethyl-azanium Openeye Name: 2-[[2-(2-amino-2-oxo-ethoxy)-3,5-dichloro-phenyl]methylammonio]ethyl-dimethyl-ammonium CAS Name: 2-[[2-(2-amino-2-oxoethoxy)-3,5-dichlorophenyl]methylammonio]ethyl-dimethylammonium IUPAC Name: 2-[[2-(2-amino-2-oxoethoxy)-3,5-dichlorophenyl]methylazaniumyl]ethyl-dimethylazanium Traditional Name: 2-[[2-(2-amino-2-keto-ethoxy)-3,5-dichloro-benzyl]ammonio]ethyl-dimethyl-ammonium Formula: C13H21Cl2N3O2+2 MolecularWeight: 322.23074

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)CC[NH2+]CC1=CC(=CC(=C1OCC(=O)N)Cl)Cl

Isomeric SMILES

C[NH+](C)CC[NH2+]CC1=CC(=CC(=C1OCC(=O)N)Cl)Cl

InChI

InChI=1S/C13H19Cl2N3O2/c1-18(2)4-3-17-7-9-5-10(14)6-11(15)13(9)20-8-12(16)19/h5-6,17H,3-4,7-8H2,1-2H3,(H2,16,19)/p+2