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

Systemtic Name: 1-methyl-2-(4-nitrophenyl)-3-phenyl-5,6-dihydro-4H-pyrimidin-1-ium Openeye Name: 1-methyl-2-(4-nitrophenyl)-3-phenyl-5,6-dihydro-4H-pyrimidin-1-ium CAS Name: 1-methyl-2-(4-nitrophenyl)-3-phenyl-5,6-dihydro-4H-pyrimidin-1-ium IUPAC Name: 1-methyl-2-(4-nitrophenyl)-3-phenyl-5,6-dihydro-4H-pyrimidin-1-ium Traditional Name: 1-methyl-2-(4-nitrophenyl)-3-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=CC=C2)C3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

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

InChI

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