4,6-dimethyl-1-[(4-nitrophenyl)methyl]pyrimidin-1-ium

Systemtic Name: 4,6-dimethyl-1-[(4-nitrophenyl)methyl]pyrimidin-1-ium Openeye Name: 4,6-dimethyl-1-[(4-nitrophenyl)methyl]pyrimidin-1-ium CAS Name: 4,6-dimethyl-1-[(4-nitrophenyl)methyl]pyrimidin-1-ium IUPAC Name: 4,6-dimethyl-1-[(4-nitrophenyl)methyl]pyrimidin-1-ium Traditional Name: 4,6-dimethyl-1-(4-nitrobenzyl)pyrimidin-1-ium Formula: C13H14N3O2+ MolecularWeight: 244.26916

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=[N+](C=N1)CC2=CC=C(C=C2)[N+](=O)[O-])C

Isomeric SMILES

CC1=CC(=[N+](C=N1)CC2=CC=C(C=C2)[N+](=O)[O-])C

InChI

InChI=1S/C13H14N3O2/c1-10-7-11(2)15(9-14-10)8-12-3-5-13(6-4-12)16(17)18/h3-7,9H,8H2,1-2H3/q+1