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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H29N3O/c1-7-8-14-12(17)11(2)15-9-13(3,4)10-16(5)6/h11,15H,7-10H2,1-6H3,(H,14,17)/p+2/t11-/m0/s1