[(2S)-1-[3-[(2S)-2-methylpiperidin-1-ium-1-yl]propylamino]-1-oxidanylidene-propan-2-yl]azanium

Systemtic Name: [(2S)-1-[3-[(2S)-2-methylpiperidin-1-ium-1-yl]propylamino]-1-oxidanylidene-propan-2-yl]azanium Openeye Name: [(1S)-1-methyl-2-[3-[(2S)-2-methylpiperidin-1-ium-1-yl]propylamino]-2-oxo-ethyl]ammonium CAS Name: [(2S)-1-[3-[(2S)-2-methyl-1-piperidin-1-iumyl]propylamino]-1-oxopropan-2-yl]ammonium IUPAC Name: [(2S)-1-[3-[(2S)-2-methylpiperidin-1-ium-1-yl]propylamino]-1-oxopropan-2-yl]azanium Traditional Name: [(1S)-2-keto-1-methyl-2-[3-[(2S)-2-methylpiperidin-1-ium-1-yl]propylamino]ethyl]ammonium Formula: C12H27N3O+2 MolecularWeight: 229.36228

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCC[NH+]1CCCNC(=O)C(C)[NH3+]

Isomeric SMILES

C[C@H]1CCCC[NH+]1CCCNC(=O)[C@H](C)[NH3+]

InChI

InChI=1S/C12H25N3O/c1-10-6-3-4-8-15(10)9-5-7-14-12(16)11(2)13/h10-11H,3-9,13H2,1-2H3,(H,14,16)/p+2/t10-,11-/m0/s1