2-[2-[4-[(5-fluoranyl-2-methoxy-phenyl)methyl]piperazin-4-ium-1-yl]-2-oxidanylidene-ethyl]isoindole-1,3-dione

Systemtic Name: 2-[2-[4-[(5-fluoranyl-2-methoxy-phenyl)methyl]piperazin-4-ium-1-yl]-2-oxidanylidene-ethyl]isoindole-1,3-dione Openeye Name: 2-[2-[4-[(5-fluoro-2-methoxy-phenyl)methyl]piperazin-4-ium-1-yl]-2-oxo-ethyl]isoindoline-1,3-dione CAS Name: 2-[2-[4-[(5-fluoro-2-methoxyphenyl)methyl]-1-piperazin-4-iumyl]-2-oxoethyl]isoindole-1,3-dione IUPAC Name: 2-[2-[4-[(5-fluoro-2-methoxyphenyl)methyl]piperazin-4-ium-1-yl]-2-oxoethyl]isoindole-1,3-dione Traditional Name: 2-[2-[4-(5-fluoro-2-methoxy-benzyl)piperazin-4-ium-1-yl]-2-keto-ethyl]isoindoline-1,3-quinone Formula: C22H23FN3O4+ MolecularWeight: 412.434123

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)F)C[NH+]2CCN(CC2)C(=O)CN3C(=O)C4=CC=CC=C4C3=O

Isomeric SMILES

COC1=C(C=C(C=C1)F)C[NH+]2CCN(CC2)C(=O)CN3C(=O)C4=CC=CC=C4C3=O

InChI

InChI=1S/C22H22FN3O4/c1-30-19-7-6-16(23)12-15(19)13-24-8-10-25(11-9-24)20(27)14-26-21(28)17-4-2-3-5-18(17)22(26)29/h2-7,12H,8-11,13-14H2,1H3/p+1