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

Systemtic Name: [(2S)-4-methyl-1-[4-[2-(methylamino)-2-oxidanylidene-ethyl]piperazin-4-ium-1-yl]-1-oxidanylidene-pentan-2-yl]azanium Openeye Name: [(1S)-3-methyl-1-[4-[2-(methylamino)-2-oxo-ethyl]piperazin-4-ium-1-carbonyl]butyl]ammonium CAS Name: [(2S)-4-methyl-1-[4-[2-(methylamino)-2-oxoethyl]-1-piperazin-4-iumyl]-1-oxopentan-2-yl]ammonium IUPAC Name: [(2S)-4-methyl-1-[4-[2-(methylamino)-2-oxoethyl]piperazin-4-ium-1-yl]-1-oxopentan-2-yl]azanium Traditional Name: [(1S)-1-[4-[2-keto-2-(methylamino)ethyl]piperazin-4-ium-1-carbonyl]-3-methyl-butyl]ammonium Formula: C13H28N4O2+2 MolecularWeight: 272.38702

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H26N4O2/c1-10(2)8-11(14)13(19)17-6-4-16(5-7-17)9-12(18)15-3/h10-11H,4-9,14H2,1-3H3,(H,15,18)/p+2/t11-/m0/s1