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

Systemtic Name: [(2S)-1-[4-(2-azanyl-2-oxidanylidene-ethyl)piperazin-4-ium-1-yl]-4-methyl-1-oxidanylidene-pentan-2-yl]azanium Openeye Name: [(1S)-1-[4-(2-amino-2-oxo-ethyl)piperazin-4-ium-1-carbonyl]-3-methyl-butyl]ammonium CAS Name: [(2S)-1-[4-(2-amino-2-oxoethyl)-1-piperazin-4-iumyl]-4-methyl-1-oxopentan-2-yl]ammonium IUPAC Name: [(2S)-1-[4-(2-amino-2-oxoethyl)piperazin-4-ium-1-yl]-4-methyl-1-oxopentan-2-yl]azanium Traditional Name: [(1S)-1-[4-(2-amino-2-keto-ethyl)piperazin-4-ium-1-carbonyl]-3-methyl-butyl]ammonium Formula: C12H26N4O2+2 MolecularWeight: 258.36044

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H24N4O2/c1-9(2)7-10(13)12(18)16-5-3-15(4-6-16)8-11(14)17/h9-10H,3-8,13H2,1-2H3,(H2,14,17)/p+2/t10-/m0/s1