2-[[1-(1-adamantyl)-1-oxidanylidene-propan-2-yl]azaniumyl]ethyl-dimethyl-azanium dichloride

Systemtic Name: 2-[[1-(1-adamantyl)-1-oxidanylidene-propan-2-yl]azaniumyl]ethyl-dimethyl-azanium dichloride Openeye Name: 2-[[2-(1-adamantyl)-1-methyl-2-oxo-ethyl]ammonio]ethyl-dimethyl-ammonium dichloride CAS Name: 2-[[1-(1-adamantyl)-1-oxopropan-2-yl]ammonio]ethyl-dimethylammonium dichloride IUPAC Name: 2-[[1-(1-adamantyl)-1-oxopropan-2-yl]azaniumyl]ethyl-dimethylazanium dichloride Traditional Name: 2-[[2-(1-adamantyl)-2-keto-1-methyl-ethyl]ammonio]ethyl-dimethyl-ammonium dichloride Formula: C17H32Cl2N2O MolecularWeight: 351.35478

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)C12CC3CC(C1)CC(C3)C2)[NH2+]CC[NH+](C)C.[Cl-].[Cl-]

Isomeric SMILES

CC(C(=O)C12CC3CC(C1)CC(C3)C2)[NH2+]CC[NH+](C)C.[Cl-].[Cl-]

InChI

InChI=1S/C17H30N2O.2ClH/c1-12(18-4-5-19(2)3)16(20)17-9-13-6-14(10-17)8-15(7-13)11-17;;/h12-15,18H,4-11H2,1-3H3;2*1H