1-[[4-[(5-fluoranyl-2-methoxy-phenyl)methyl]piperazine-1,4-diium-1-yl]methyl]cinnolin-4-one

Systemtic Name: 1-[[4-[(5-fluoranyl-2-methoxy-phenyl)methyl]piperazine-1,4-diium-1-yl]methyl]cinnolin-4-one Openeye Name: 1-[[4-[(5-fluoro-2-methoxy-phenyl)methyl]piperazine-1,4-diium-1-yl]methyl]cinnolin-4-one CAS Name: 1-[[4-[(5-fluoro-2-methoxyphenyl)methyl]-1-piperazine-1,4-diiumyl]methyl]-4-cinnolinone IUPAC Name: 1-[[4-[(5-fluoro-2-methoxyphenyl)methyl]piperazine-1,4-diium-1-yl]methyl]cinnolin-4-one Traditional Name: 1-[[4-(5-fluoro-2-methoxy-benzyl)piperazine-1,4-diium-1-yl]methyl]cinnolin-4-one Formula: C21H25FN4O2+2 MolecularWeight: 384.447203

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)F)C[NH+]2CC[NH+](CC2)CN3C4=CC=CC=C4C(=O)C=N3

Isomeric SMILES

COC1=C(C=C(C=C1)F)C[NH+]2CC[NH+](CC2)CN3C4=CC=CC=C4C(=O)C=N3

InChI

InChI=1S/C21H23FN4O2/c1-28-21-7-6-17(22)12-16(21)14-24-8-10-25(11-9-24)15-26-19-5-3-2-4-18(19)20(27)13-23-26/h2-7,12-13H,8-11,14-15H2,1H3/p+2