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

Systemtic Name: 7-ethyl-4-[[4-[(5-fluoranyl-2-methoxy-phenyl)methyl]piperazine-1,4-diium-1-yl]methyl]chromen-2-one Openeye Name: 7-ethyl-4-[[4-[(5-fluoro-2-methoxy-phenyl)methyl]piperazine-1,4-diium-1-yl]methyl]chromen-2-one CAS Name: 7-ethyl-4-[[4-[(5-fluoro-2-methoxyphenyl)methyl]-1-piperazine-1,4-diiumyl]methyl]-1-benzopyran-2-one IUPAC Name: 7-ethyl-4-[[4-[(5-fluoro-2-methoxyphenyl)methyl]piperazine-1,4-diium-1-yl]methyl]chromen-2-one Traditional Name: 7-ethyl-4-[[4-(5-fluoro-2-methoxy-benzyl)piperazine-1,4-diium-1-yl]methyl]coumarin Formula: C24H29FN2O3+2 MolecularWeight: 412.497063

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC2=C(C=C1)C(=CC(=O)O2)C[NH+]3CC[NH+](CC3)CC4=C(C=CC(=C4)F)OC

Isomeric SMILES

CCC1=CC2=C(C=C1)C(=CC(=O)O2)C[NH+]3CC[NH+](CC3)CC4=C(C=CC(=C4)F)OC

InChI

InChI=1S/C24H27FN2O3/c1-3-17-4-6-21-18(14-24(28)30-23(21)12-17)15-26-8-10-27(11-9-26)16-19-13-20(25)5-7-22(19)29-2/h4-7,12-14H,3,8-11,15-16H2,1-2H3/p+2