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

Systemtic Name: [2,2-dimethyl-3-[[(2S)-1-(2-methylpropylamino)-1-oxidanylidene-propan-2-yl]azaniumyl]propyl]-dimethyl-azanium Openeye Name: [3-[[(1S)-2-(isobutylamino)-1-methyl-2-oxo-ethyl]ammonio]-2,2-dimethyl-propyl]-dimethyl-ammonium CAS Name: [2,2-dimethyl-3-[[(2S)-1-(2-methylpropylamino)-1-oxopropan-2-yl]ammonio]propyl]-dimethylammonium IUPAC Name: [2,2-dimethyl-3-[[(2S)-1-(2-methylpropylamino)-1-oxopropan-2-yl]azaniumyl]propyl]-dimethylazanium Traditional Name: [3-[[(1S)-2-(isobutylamino)-2-keto-1-methyl-ethyl]ammonio]-2,2-dimethyl-propyl]-dimethyl-ammonium Formula: C14H33N3O+2 MolecularWeight: 259.43132

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H31N3O/c1-11(2)8-15-13(18)12(3)16-9-14(4,5)10-17(6)7/h11-12,16H,8-10H2,1-7H3,(H,15,18)/p+2/t12-/m0/s1