[(2S)-1-(4-ethylpiperazin-4-ium-1-yl)-4-methyl-1-oxidanylidene-pentan-2-yl]azanium

Systemtic Name: [(2S)-1-(4-ethylpiperazin-4-ium-1-yl)-4-methyl-1-oxidanylidene-pentan-2-yl]azanium Openeye Name: [(1S)-1-(4-ethylpiperazin-4-ium-1-carbonyl)-3-methyl-butyl]ammonium CAS Name: [(2S)-1-(4-ethyl-1-piperazin-4-iumyl)-4-methyl-1-oxopentan-2-yl]ammonium IUPAC Name: [(2S)-1-(4-ethylpiperazin-4-ium-1-yl)-4-methyl-1-oxopentan-2-yl]azanium Traditional Name: [(1S)-1-(4-ethylpiperazin-4-ium-1-carbonyl)-3-methyl-butyl]ammonium Formula: C12H27N3O+2 MolecularWeight: 229.36228

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+]1CCN(CC1)C(=O)C(CC(C)C)[NH3+]

Isomeric SMILES

CC[NH+]1CCN(CC1)C(=O)[C@H](CC(C)C)[NH3+]

InChI

InChI=1S/C12H25N3O/c1-4-14-5-7-15(8-6-14)12(16)11(13)9-10(2)3/h10-11H,4-9,13H2,1-3H3/p+2/t11-/m0/s1