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

Systemtic Name: [3-[[(2S)-1-(azepan-1-yl)-1-oxidanylidene-propan-2-yl]azaniumyl]-2,2-dimethyl-propyl]-dimethyl-azanium Openeye Name: [3-[[(1S)-2-(azepan-1-yl)-1-methyl-2-oxo-ethyl]ammonio]-2,2-dimethyl-propyl]-dimethyl-ammonium CAS Name: [3-[[(2S)-1-(1-azepanyl)-1-oxopropan-2-yl]ammonio]-2,2-dimethylpropyl]-dimethylammonium IUPAC Name: [3-[[(2S)-1-(azepan-1-yl)-1-oxopropan-2-yl]azaniumyl]-2,2-dimethylpropyl]-dimethylazanium Traditional Name: [3-[[(1S)-2-(azepan-1-yl)-2-keto-1-methyl-ethyl]ammonio]-2,2-dimethyl-propyl]-dimethyl-ammonium Formula: C16H35N3O+2 MolecularWeight: 285.4686

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H33N3O/c1-14(17-12-16(2,3)13-18(4)5)15(20)19-10-8-6-7-9-11-19/h14,17H,6-13H2,1-5H3/p+2/t14-/m0/s1