2-[2-[4-[(3-fluoranyl-4-methoxy-phenyl)methyl]piperazin-4-ium-1-yl]ethyl]isoindole-1,3-dione

Systemtic Name: 2-[2-[4-[(3-fluoranyl-4-methoxy-phenyl)methyl]piperazin-4-ium-1-yl]ethyl]isoindole-1,3-dione Openeye Name: 2-[2-[4-[(3-fluoro-4-methoxy-phenyl)methyl]piperazin-4-ium-1-yl]ethyl]isoindoline-1,3-dione CAS Name: 2-[2-[4-[(3-fluoro-4-methoxyphenyl)methyl]-1-piperazin-4-iumyl]ethyl]isoindole-1,3-dione IUPAC Name: 2-[2-[4-[(3-fluoro-4-methoxyphenyl)methyl]piperazin-4-ium-1-yl]ethyl]isoindole-1,3-dione Traditional Name: 2-[2-[4-(3-fluoro-4-methoxy-benzyl)piperazin-4-ium-1-yl]ethyl]isoindoline-1,3-quinone Formula: C22H25FN3O3+ MolecularWeight: 398.450603

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C[NH+]2CCN(CC2)CCN3C(=O)C4=CC=CC=C4C3=O)F

Isomeric SMILES

COC1=C(C=C(C=C1)C[NH+]2CCN(CC2)CCN3C(=O)C4=CC=CC=C4C3=O)F

InChI

InChI=1S/C22H24FN3O3/c1-29-20-7-6-16(14-19(20)23)15-25-10-8-24(9-11-25)12-13-26-21(27)17-4-2-3-5-18(17)22(26)28/h2-7,14H,8-13,15H2,1H3/p+1