6-tert-butyl-4-[[4-(4-fluorophenyl)piperazin-1-ium-1-yl]methyl]chromen-2-one

Systemtic Name: 6-tert-butyl-4-[[4-(4-fluorophenyl)piperazin-1-ium-1-yl]methyl]chromen-2-one Openeye Name: 6-tert-butyl-4-[[4-(4-fluorophenyl)piperazin-1-ium-1-yl]methyl]chromen-2-one CAS Name: 6-tert-butyl-4-[[4-(4-fluorophenyl)-1-piperazin-1-iumyl]methyl]-1-benzopyran-2-one IUPAC Name: 6-tert-butyl-4-[[4-(4-fluorophenyl)piperazin-1-ium-1-yl]methyl]chromen-2-one Traditional Name: 6-tert-butyl-4-[[4-(4-fluorophenyl)piperazin-1-ium-1-yl]methyl]coumarin Formula: C24H28FN2O2+ MolecularWeight: 395.489723

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC2=C(C=C1)OC(=O)C=C2C[NH+]3CCN(CC3)C4=CC=C(C=C4)F

Isomeric SMILES

CC(C)(C)C1=CC2=C(C=C1)OC(=O)C=C2C[NH+]3CCN(CC3)C4=CC=C(C=C4)F

InChI

InChI=1S/C24H27FN2O2/c1-24(2,3)18-4-9-22-21(15-18)17(14-23(28)29-22)16-26-10-12-27(13-11-26)20-7-5-19(25)6-8-20/h4-9,14-15H,10-13,16H2,1-3H3/p+1