3-[[(2S)-1-(butylamino)-1-oxidanylidene-propan-2-yl]amino]propyl-dimethyl-azanium

Systemtic Name: 3-[[(2S)-1-(butylamino)-1-oxidanylidene-propan-2-yl]amino]propyl-dimethyl-azanium Openeye Name: 3-[[(1S)-2-(butylamino)-1-methyl-2-oxo-ethyl]amino]propyl-dimethyl-ammonium CAS Name: 3-[[(2S)-1-(butylamino)-1-oxopropan-2-yl]amino]propyl-dimethylammonium IUPAC Name: 3-[[(2S)-1-(butylamino)-1-oxopropan-2-yl]amino]propyl-dimethylazanium Traditional Name: 3-[[(1S)-2-(butylamino)-2-keto-1-methyl-ethyl]amino]propyl-dimethyl-ammonium Formula: C12H28N3O+ MolecularWeight: 230.37022

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC(=O)C(C)NCCC[NH+](C)C

Isomeric SMILES

CCCCNC(=O)[C@H](C)NCCC[NH+](C)C

InChI

InChI=1S/C12H27N3O/c1-5-6-8-14-12(16)11(2)13-9-7-10-15(3)4/h11,13H,5-10H2,1-4H3,(H,14,16)/p+1/t11-/m0/s1