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

Systemtic Name: [2,2-dimethyl-3-[[(2S)-1-oxidanylidene-1-(propan-2-ylamino)propan-2-yl]azaniumyl]propyl]-dimethyl-azanium Openeye Name: [3-[[(1S)-2-(isopropylamino)-1-methyl-2-oxo-ethyl]ammonio]-2,2-dimethyl-propyl]-dimethyl-ammonium CAS Name: [2,2-dimethyl-3-[[(2S)-1-oxo-1-(propan-2-ylamino)propan-2-yl]ammonio]propyl]-dimethylammonium IUPAC Name: [2,2-dimethyl-3-[[(2S)-1-oxo-1-(propan-2-ylamino)propan-2-yl]azaniumyl]propyl]-dimethylazanium Traditional Name: [3-[[(1S)-2-(isopropylamino)-2-keto-1-methyl-ethyl]ammonio]-2,2-dimethyl-propyl]-dimethyl-ammonium Formula: C13H31N3O+2 MolecularWeight: 245.40474

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H29N3O/c1-10(2)15-12(17)11(3)14-8-13(4,5)9-16(6)7/h10-11,14H,8-9H2,1-7H3,(H,15,17)/p+2/t11-/m0/s1