[(2S)-3-methyl-1-[4-[2-(methylamino)-2-oxidanylidene-ethyl]piperazin-4-ium-1-yl]-1-oxidanylidene-butan-2-yl]azanium

Systemtic Name: [(2S)-3-methyl-1-[4-[2-(methylamino)-2-oxidanylidene-ethyl]piperazin-4-ium-1-yl]-1-oxidanylidene-butan-2-yl]azanium Openeye Name: [(1S)-2-methyl-1-[4-[2-(methylamino)-2-oxo-ethyl]piperazin-4-ium-1-carbonyl]propyl]ammonium CAS Name: [(2S)-3-methyl-1-[4-[2-(methylamino)-2-oxoethyl]-1-piperazin-4-iumyl]-1-oxobutan-2-yl]ammonium IUPAC Name: [(2S)-3-methyl-1-[4-[2-(methylamino)-2-oxoethyl]piperazin-4-ium-1-yl]-1-oxobutan-2-yl]azanium Traditional Name: [(1S)-1-[4-[2-keto-2-(methylamino)ethyl]piperazin-4-ium-1-carbonyl]-2-methyl-propyl]ammonium Formula: C12H26N4O2+2 MolecularWeight: 258.36044

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)N1CC[NH+](CC1)CC(=O)NC)[NH3+]

Isomeric SMILES

CC(C)[C@@H](C(=O)N1CC[NH+](CC1)CC(=O)NC)[NH3+]

InChI

InChI=1S/C12H24N4O2/c1-9(2)11(13)12(18)16-6-4-15(5-7-16)8-10(17)14-3/h9,11H,4-8,13H2,1-3H3,(H,14,17)/p+2/t11-/m0/s1