[3-[[2-(azepan-1-yl)-2-oxidanylidene-ethyl]azaniumyl]-2,2-dimethyl-propyl]-dimethyl-azanium

Systemtic Name: [3-[[2-(azepan-1-yl)-2-oxidanylidene-ethyl]azaniumyl]-2,2-dimethyl-propyl]-dimethyl-azanium Openeye Name: [3-[[2-(azepan-1-yl)-2-oxo-ethyl]ammonio]-2,2-dimethyl-propyl]-dimethyl-ammonium CAS Name: [3-[[2-(1-azepanyl)-2-oxoethyl]ammonio]-2,2-dimethylpropyl]-dimethylammonium IUPAC Name: [3-[[2-(azepan-1-yl)-2-oxoethyl]azaniumyl]-2,2-dimethylpropyl]-dimethylazanium Traditional Name: [3-[[2-(azepan-1-yl)-2-keto-ethyl]ammonio]-2,2-dimethyl-propyl]-dimethyl-ammonium Formula: C15H33N3O+2 MolecularWeight: 271.44202

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C[NH2+]CC(=O)N1CCCCCC1)C[NH+](C)C

Isomeric SMILES

CC(C)(C[NH2+]CC(=O)N1CCCCCC1)C[NH+](C)C

InChI

InChI=1S/C15H31N3O/c1-15(2,13-17(3)4)12-16-11-14(19)18-9-7-5-6-8-10-18/h16H,5-13H2,1-4H3/p+2