4-[[4-(4-ethanoylphenyl)piperazin-1-ium-1-yl]methyl]-8-methyl-7-oxidanyl-chromen-2-one

Systemtic Name: 4-[[4-(4-ethanoylphenyl)piperazin-1-ium-1-yl]methyl]-8-methyl-7-oxidanyl-chromen-2-one Openeye Name: 4-[[4-(4-acetylphenyl)piperazin-1-ium-1-yl]methyl]-7-hydroxy-8-methyl-chromen-2-one CAS Name: 4-[[4-(4-acetylphenyl)-1-piperazin-1-iumyl]methyl]-7-hydroxy-8-methyl-1-benzopyran-2-one IUPAC Name: 4-[[4-(4-acetylphenyl)piperazin-1-ium-1-yl]methyl]-7-hydroxy-8-methylchromen-2-one Traditional Name: 4-[[4-(4-acetylphenyl)piperazin-1-ium-1-yl]methyl]-7-hydroxy-8-methyl-coumarin Formula: C23H25N2O4+ MolecularWeight: 393.4556

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC2=C1OC(=O)C=C2C[NH+]3CCN(CC3)C4=CC=C(C=C4)C(=O)C)O

Isomeric SMILES

CC1=C(C=CC2=C1OC(=O)C=C2C[NH+]3CCN(CC3)C4=CC=C(C=C4)C(=O)C)O

InChI

InChI=1S/C23H24N2O4/c1-15-21(27)8-7-20-18(13-22(28)29-23(15)20)14-24-9-11-25(12-10-24)19-5-3-17(4-6-19)16(2)26/h3-8,13,27H,9-12,14H2,1-2H3/p+1