2-tert-butyl-1-methyl-3-(4-nitrophenyl)-5,6-dihydro-4H-pyrimidin-1-ium iodide

Systemtic Name: 2-tert-butyl-1-methyl-3-(4-nitrophenyl)-5,6-dihydro-4H-pyrimidin-1-ium iodide Openeye Name: 2-tert-butyl-1-methyl-3-(4-nitrophenyl)-5,6-dihydro-4H-pyrimidin-1-ium iodide CAS Name: 2-tert-butyl-1-methyl-3-(4-nitrophenyl)-5,6-dihydro-4H-pyrimidin-1-ium iodide IUPAC Name: 2-tert-butyl-1-methyl-3-(4-nitrophenyl)-5,6-dihydro-4H-pyrimidin-1-ium iodide Traditional Name: 2-tert-butyl-1-methyl-3-(4-nitrophenyl)-5,6-dihydro-4H-pyrimidin-1-ium iodide Formula: C15H22IN3O2 MolecularWeight: 403.25855

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=[N+](CCCN1C2=CC=C(C=C2)[N+](=O)[O-])C.[I-]

Isomeric SMILES

CC(C)(C)C1=[N+](CCCN1C2=CC=C(C=C2)[N+](=O)[O-])C.[I-]

InChI

InChI=1S/C15H22N3O2.HI/c1-15(2,3)14-16(4)10-5-11-17(14)12-6-8-13(9-7-12)18(19)20;/h6-9H,5,10-11H2,1-4H3;1H/q+1;/p-1