(4-fluorophenyl)-[2-[4-(6-methyl-2-propan-2-yl-pyrimidin-3-ium-4-yl)piperazin-1-yl]carbonylphenyl]methanone

Systemtic Name: (4-fluorophenyl)-[2-[4-(6-methyl-2-propan-2-yl-pyrimidin-3-ium-4-yl)piperazin-1-yl]carbonylphenyl]methanone Openeye Name: (4-fluorophenyl)-[2-[4-(2-isopropyl-6-methyl-pyrimidin-3-ium-4-yl)piperazine-1-carbonyl]phenyl]methanone CAS Name: (4-fluorophenyl)-[2-[[4-(6-methyl-2-propan-2-yl-4-pyrimidin-3-iumyl)-1-piperazinyl]-oxomethyl]phenyl]methanone IUPAC Name: (4-fluorophenyl)-[2-[4-(6-methyl-2-propan-2-ylpyrimidin-3-ium-4-yl)piperazine-1-carbonyl]phenyl]methanone Traditional Name: (4-fluorophenyl)-[2-[4-(2-isopropyl-6-methyl-pyrimidin-3-ium-4-yl)piperazine-1-carbonyl]phenyl]methanone Formula: C26H28FN4O2+ MolecularWeight: 447.524523

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=[NH+]C(=N1)C(C)C)N2CCN(CC2)C(=O)C3=CC=CC=C3C(=O)C4=CC=C(C=C4)F

Isomeric SMILES

CC1=CC(=[NH+]C(=N1)C(C)C)N2CCN(CC2)C(=O)C3=CC=CC=C3C(=O)C4=CC=C(C=C4)F

InChI

InChI=1S/C26H27FN4O2/c1-17(2)25-28-18(3)16-23(29-25)30-12-14-31(15-13-30)26(33)22-7-5-4-6-21(22)24(32)19-8-10-20(27)11-9-19/h4-11,16-17H,12-15H2,1-3H3/p+1