3-(4-fluorophenyl)-2-methyl-7-[(2S)-3-(4-methylpiperazine-1,4-diium-1-yl)-2-oxidanyl-propoxy]chromen-4-one

Systemtic Name: 3-(4-fluorophenyl)-2-methyl-7-[(2S)-3-(4-methylpiperazine-1,4-diium-1-yl)-2-oxidanyl-propoxy]chromen-4-one Openeye Name: 3-(4-fluorophenyl)-7-[(2S)-2-hydroxy-3-(4-methylpiperazine-1,4-diium-1-yl)propoxy]-2-methyl-chromen-4-one CAS Name: 3-(4-fluorophenyl)-7-[(2S)-2-hydroxy-3-(4-methyl-1-piperazine-1,4-diiumyl)propoxy]-2-methyl-1-benzopyran-4-one IUPAC Name: 3-(4-fluorophenyl)-7-[(2S)-2-hydroxy-3-(4-methylpiperazine-1,4-diium-1-yl)propoxy]-2-methylchromen-4-one Traditional Name: 3-(4-fluorophenyl)-7-[(2S)-2-hydroxy-3-(4-methylpiperazine-1,4-diium-1-yl)propoxy]-2-methyl-chromone Formula: C24H29FN2O4+2 MolecularWeight: 428.496463

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)C2=C(O1)C=C(C=C2)OCC(C[NH+]3CC[NH+](CC3)C)O)C4=CC=C(C=C4)F

Isomeric SMILES

CC1=C(C(=O)C2=C(O1)C=C(C=C2)OC[C@H](C[NH+]3CC[NH+](CC3)C)O)C4=CC=C(C=C4)F

InChI

InChI=1S/C24H27FN2O4/c1-16-23(17-3-5-18(25)6-4-17)24(29)21-8-7-20(13-22(21)31-16)30-15-19(28)14-27-11-9-26(2)10-12-27/h3-8,13,19,28H,9-12,14-15H2,1-2H3/p+2/t19-/m0/s1