4-fluoranyl-3-[[4-(6-methyl-2-propan-2-yl-pyrimidin-3-ium-4-yl)piperazin-1-yl]methyl]benzenecarbonitrile

Systemtic Name: 4-fluoranyl-3-[[4-(6-methyl-2-propan-2-yl-pyrimidin-3-ium-4-yl)piperazin-1-yl]methyl]benzenecarbonitrile Openeye Name: 4-fluoro-3-[[4-(2-isopropyl-6-methyl-pyrimidin-3-ium-4-yl)piperazin-1-yl]methyl]benzonitrile CAS Name: 4-fluoro-3-[[4-(6-methyl-2-propan-2-yl-4-pyrimidin-3-iumyl)-1-piperazinyl]methyl]benzonitrile IUPAC Name: 4-fluoro-3-[[4-(6-methyl-2-propan-2-ylpyrimidin-3-ium-4-yl)piperazin-1-yl]methyl]benzonitrile Traditional Name: 4-fluoro-3-[[4-(2-isopropyl-6-methyl-pyrimidin-3-ium-4-yl)piperazino]methyl]benzonitrile Formula: C20H25FN5+ MolecularWeight: 354.444403

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=[NH+]C(=N1)C(C)C)N2CCN(CC2)CC3=C(C=CC(=C3)C#N)F

Isomeric SMILES

CC1=CC(=[NH+]C(=N1)C(C)C)N2CCN(CC2)CC3=C(C=CC(=C3)C#N)F

InChI

InChI=1S/C20H24FN5/c1-14(2)20-23-15(3)10-19(24-20)26-8-6-25(7-9-26)13-17-11-16(12-22)4-5-18(17)21/h4-5,10-11,14H,6-9,13H2,1-3H3/p+1