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

Systemtic Name: 1-methyl-3-(4-nitrophenyl)-2-phenyl-5,6-dihydro-4H-pyrimidin-1-ium Openeye Name: 1-methyl-3-(4-nitrophenyl)-2-phenyl-5,6-dihydro-4H-pyrimidin-1-ium CAS Name: 1-methyl-3-(4-nitrophenyl)-2-phenyl-5,6-dihydro-4H-pyrimidin-1-ium IUPAC Name: 1-methyl-3-(4-nitrophenyl)-2-phenyl-5,6-dihydro-4H-pyrimidin-1-ium Traditional Name: 1-methyl-3-(4-nitrophenyl)-2-phenyl-5,6-dihydro-4H-pyrimidin-1-ium Formula: C17H18N3O2+ MolecularWeight: 296.34372

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1=C(N(CCC1)C2=CC=C(C=C2)[N+](=O)[O-])C3=CC=CC=C3

Isomeric SMILES

C[N+]1=C(N(CCC1)C2=CC=C(C=C2)[N+](=O)[O-])C3=CC=CC=C3

InChI

InChI=1S/C17H18N3O2/c1-18-12-5-13-19(17(18)14-6-3-2-4-7-14)15-8-10-16(11-9-15)20(21)22/h2-4,6-11H,5,12-13H2,1H3/q+1