(5S)-1,3-ditert-butyl-5-methyl-5-nitro-1,3-diazinan-1-ium

Systemtic Name: (5S)-1,3-ditert-butyl-5-methyl-5-nitro-1,3-diazinan-1-ium Openeye Name: (5S)-1,3-ditert-butyl-5-methyl-5-nitro-hexahydropyrimidin-1-ium CAS Name: (5S)-1,3-ditert-butyl-5-methyl-5-nitro-1,3-diazinan-1-ium IUPAC Name: (5S)-1,3-ditert-butyl-5-methyl-5-nitro-1,3-diazinan-1-ium Traditional Name: (5S)-1,3-ditert-butyl-5-methyl-5-nitro-hexahydropyrimidin-1-ium Formula: C13H28N3O2+ MolecularWeight: 258.38032

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C[NH+](CN(C1)C(C)(C)C)C(C)(C)C)[N+](=O)[O-]

Isomeric SMILES

C[C@]1(C[NH+](CN(C1)C(C)(C)C)C(C)(C)C)[N+](=O)[O-]

InChI

InChI=1S/C13H27N3O2/c1-11(2,3)14-8-13(7,16(17)18)9-15(10-14)12(4,5)6/h8-10H2,1-7H3/p+1