3-[methyl-[(2S)-1-(3-methylbutylamino)-1-oxidanylidene-propan-2-yl]amino]propylazanium

Systemtic Name: 3-[methyl-[(2S)-1-(3-methylbutylamino)-1-oxidanylidene-propan-2-yl]amino]propylazanium Openeye Name: 3-[[(1S)-2-(isopentylamino)-1-methyl-2-oxo-ethyl]-methyl-amino]propylammonium CAS Name: 3-[methyl-[(2S)-1-(3-methylbutylamino)-1-oxopropan-2-yl]amino]propylammonium IUPAC Name: 3-[methyl-[(2S)-1-(3-methylbutylamino)-1-oxopropan-2-yl]amino]propylazanium Traditional Name: 3-[[(1S)-2-(isoamylamino)-2-keto-1-methyl-ethyl]-methyl-amino]propylammonium Formula: C12H28N3O+ MolecularWeight: 230.37022

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCNC(=O)C(C)N(C)CCC[NH3+]

Isomeric SMILES

C[C@@H](C(=O)NCCC(C)C)N(C)CCC[NH3+]

InChI

InChI=1S/C12H27N3O/c1-10(2)6-8-14-12(16)11(3)15(4)9-5-7-13/h10-11H,5-9,13H2,1-4H3,(H,14,16)/p+1/t11-/m0/s1