(2S,5R)-5-ethyl-4-oxidanylidene-5-[(2S)-pentan-2-yl]-1,3-diazinan-1-ium-2-olate

Systemtic Name: (2S,5R)-5-ethyl-4-oxidanylidene-5-[(2S)-pentan-2-yl]-1,3-diazinan-1-ium-2-olate Openeye Name: (2S,5R)-5-ethyl-5-[(1S)-1-methylbutyl]-4-oxo-hexahydropyrimidin-1-ium-2-olate CAS Name: (2S,5R)-5-ethyl-4-oxo-5-[(2S)-pentan-2-yl]-1,3-diazinan-1-ium-2-olate IUPAC Name: (2S,5R)-5-ethyl-4-oxo-5-[(2S)-pentan-2-yl]-1,3-diazinan-1-ium-2-olate Traditional Name: (2S,5R)-5-ethyl-4-keto-5-[(1S)-1-methylbutyl]hexahydropyrimidin-1-ium-2-olate Formula: C11H22N2O2 MolecularWeight: 214.30458

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C)C1(C[NH2+]C(NC1=O)[O-])CC

Isomeric SMILES

CCC[C@H](C)[C@@]1(C[NH2+][C@H](NC1=O)[O-])CC

InChI

InChI=1S/C11H21N2O2/c1-4-6-8(3)11(5-2)7-12-10(15)13-9(11)14/h8,10,12H,4-7H2,1-3H3,(H,13,14)/q-1/p+1/t8-,10+,11-/m0/s1