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

Systemtic Name: 7-[(2S)-3-[4-(2-methoxyphenyl)piperazin-1-ium-1-yl]-2-oxidanyl-propoxy]-4-methyl-chromen-2-one Openeye Name: 7-[(2S)-2-hydroxy-3-[4-(2-methoxyphenyl)piperazin-1-ium-1-yl]propoxy]-4-methyl-chromen-2-one CAS Name: 7-[(2S)-2-hydroxy-3-[4-(2-methoxyphenyl)-1-piperazin-1-iumyl]propoxy]-4-methyl-1-benzopyran-2-one IUPAC Name: 7-[(2S)-2-hydroxy-3-[4-(2-methoxyphenyl)piperazin-1-ium-1-yl]propoxy]-4-methylchromen-2-one Traditional Name: 7-[(2S)-2-hydroxy-3-[4-(2-methoxyphenyl)piperazin-1-ium-1-yl]propoxy]-4-methyl-coumarin Formula: C24H29N2O5+ MolecularWeight: 425.49746

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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=C4OC)O

Isomeric SMILES

CC1=CC(=O)OC2=C1C=CC(=C2)OC[C@H](C[NH+]3CCN(CC3)C4=CC=CC=C4OC)O

InChI

InChI=1S/C24H28N2O5/c1-17-13-24(28)31-23-14-19(7-8-20(17)23)30-16-18(27)15-25-9-11-26(12-10-25)21-5-3-4-6-22(21)29-2/h3-8,13-14,18,27H,9-12,15-16H2,1-2H3/p+1/t18-/m0/s1