4-bromanyl-2-[6-(4-methylphenyl)-2-(2-nitrophenyl)-1,2,3,4-tetrahydropyrimidin-3-ium-4-yl]phenol

Systemtic Name: 4-bromanyl-2-[6-(4-methylphenyl)-2-(2-nitrophenyl)-1,2,3,4-tetrahydropyrimidin-3-ium-4-yl]phenol Openeye Name: 4-bromo-2-[2-(2-nitrophenyl)-6-(p-tolyl)-1,2,3,4-tetrahydropyrimidin-3-ium-4-yl]phenol CAS Name: 4-bromo-2-[6-(4-methylphenyl)-2-(2-nitrophenyl)-1,2,3,4-tetrahydropyrimidin-3-ium-4-yl]phenol IUPAC Name: 4-bromo-2-[6-(4-methylphenyl)-2-(2-nitrophenyl)-1,2,3,4-tetrahydropyrimidin-3-ium-4-yl]phenol Traditional Name: 4-bromo-2-[2-(2-nitrophenyl)-6-(p-tolyl)-1,2,3,4-tetrahydropyrimidin-3-ium-4-yl]phenol Formula: C23H21BrN3O3+ MolecularWeight: 467.33514

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=CC([NH2+]C(N2)C3=CC=CC=C3[N+](=O)[O-])C4=C(C=CC(=C4)Br)O

Isomeric SMILES

CC1=CC=C(C=C1)C2=CC([NH2+]C(N2)C3=CC=CC=C3[N+](=O)[O-])C4=C(C=CC(=C4)Br)O

InChI

InChI=1S/C23H20BrN3O3/c1-14-6-8-15(9-7-14)19-13-20(18-12-16(24)10-11-22(18)28)26-23(25-19)17-4-2-3-5-21(17)27(29)30/h2-13,20,23,25-26,28H,1H3/p+1