1-methyl-2-(4-nitrophenyl)-1,3-diazinane-1,3-diium

Systemtic Name: 1-methyl-2-(4-nitrophenyl)-1,3-diazinane-1,3-diium Openeye Name: 1-methyl-2-(4-nitrophenyl)hexahydropyrimidine-1,3-diium CAS Name: 1-methyl-2-(4-nitrophenyl)-1,3-diazinane-1,3-diium IUPAC Name: 1-methyl-2-(4-nitrophenyl)-1,3-diazinane-1,3-diium Traditional Name: 1-methyl-2-(4-nitrophenyl)hexahydropyrimidine-1,3-diium Formula: C11H17N3O2+2 MolecularWeight: 223.27158

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCC[NH2+]C1C2=CC=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

C[NH+]1CCC[NH2+]C1C2=CC=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C11H15N3O2/c1-13-8-2-7-12-11(13)9-3-5-10(6-4-9)14(15)16/h3-6,11-12H,2,7-8H2,1H3/p+2