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

Systemtic Name: 6-[4-[(3-fluoranyl-4-methoxy-phenyl)methyl]piperazin-1-yl]-4-methyl-2-propan-2-yl-pyrimidin-1-ium Openeye Name: 6-[4-[(3-fluoro-4-methoxy-phenyl)methyl]piperazin-1-yl]-2-isopropyl-4-methyl-pyrimidin-1-ium CAS Name: 6-[4-[(3-fluoro-4-methoxyphenyl)methyl]-1-piperazinyl]-4-methyl-2-propan-2-ylpyrimidin-1-ium IUPAC Name: 6-[4-[(3-fluoro-4-methoxyphenyl)methyl]piperazin-1-yl]-4-methyl-2-propan-2-ylpyrimidin-1-ium Traditional Name: 6-[4-(3-fluoro-4-methoxy-benzyl)piperazino]-2-isopropyl-4-methyl-pyrimidin-1-ium Formula: C20H28FN4O+ MolecularWeight: 359.460923

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H27FN4O/c1-14(2)20-22-15(3)11-19(23-20)25-9-7-24(8-10-25)13-16-5-6-18(26-4)17(21)12-16/h5-6,11-12,14H,7-10,13H2,1-4H3/p+1