2-[(1R)-1-[4-[(5-fluoranyl-2-methoxy-phenyl)methyl]piperazin-1-ium-1-yl]ethyl]-1H-quinazolin-4-one

Systemtic Name: 2-[(1R)-1-[4-[(5-fluoranyl-2-methoxy-phenyl)methyl]piperazin-1-ium-1-yl]ethyl]-1H-quinazolin-4-one Openeye Name: 2-[(1R)-1-[4-[(5-fluoro-2-methoxy-phenyl)methyl]piperazin-1-ium-1-yl]ethyl]-1H-quinazolin-4-one CAS Name: 2-[(1R)-1-[4-[(5-fluoro-2-methoxyphenyl)methyl]-1-piperazin-1-iumyl]ethyl]-1H-quinazolin-4-one IUPAC Name: 2-[(1R)-1-[4-[(5-fluoro-2-methoxyphenyl)methyl]piperazin-1-ium-1-yl]ethyl]-1H-quinazolin-4-one Traditional Name: 2-[(1R)-1-[4-(5-fluoro-2-methoxy-benzyl)piperazin-1-ium-1-yl]ethyl]-1H-quinazolin-4-one Formula: C22H26FN4O2+ MolecularWeight: 397.465843

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=NC(=O)C2=CC=CC=C2N1)[NH+]3CCN(CC3)CC4=C(C=CC(=C4)F)OC

Isomeric SMILES

C[C@H](C1=NC(=O)C2=CC=CC=C2N1)[NH+]3CCN(CC3)CC4=C(C=CC(=C4)F)OC

InChI

InChI=1S/C22H25FN4O2/c1-15(21-24-19-6-4-3-5-18(19)22(28)25-21)27-11-9-26(10-12-27)14-16-13-17(23)7-8-20(16)29-2/h3-8,13,15H,9-12,14H2,1-2H3,(H,24,25,28)/p+1/t15-/m1/s1