7-[(2S)-3-[4-(2-fluorophenyl)piperazin-1-ium-1-yl]-2-oxidanyl-propoxy]-4-methyl-chromen-2-one

Systemtic Name: 7-[(2S)-3-[4-(2-fluorophenyl)piperazin-1-ium-1-yl]-2-oxidanyl-propoxy]-4-methyl-chromen-2-one Openeye Name: 7-[(2S)-3-[4-(2-fluorophenyl)piperazin-1-ium-1-yl]-2-hydroxy-propoxy]-4-methyl-chromen-2-one CAS Name: 7-[(2S)-3-[4-(2-fluorophenyl)-1-piperazin-1-iumyl]-2-hydroxypropoxy]-4-methyl-1-benzopyran-2-one IUPAC Name: 7-[(2S)-3-[4-(2-fluorophenyl)piperazin-1-ium-1-yl]-2-hydroxypropoxy]-4-methylchromen-2-one Traditional Name: 7-[(2S)-3-[4-(2-fluorophenyl)piperazin-1-ium-1-yl]-2-hydroxy-propoxy]-4-methyl-coumarin Formula: C23H26FN2O4+ MolecularWeight: 413.461943

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=O)OC2=C1C=CC(=C2)OCC(C[NH+]3CCN(CC3)C4=CC=CC=C4F)O

Isomeric SMILES

CC1=CC(=O)OC2=C1C=CC(=C2)OC[C@H](C[NH+]3CCN(CC3)C4=CC=CC=C4F)O

InChI

InChI=1S/C23H25FN2O4/c1-16-12-23(28)30-22-13-18(6-7-19(16)22)29-15-17(27)14-25-8-10-26(11-9-25)21-5-3-2-4-20(21)24/h2-7,12-13,17,27H,8-11,14-15H2,1H3/p+1/t17-/m0/s1