8-[[4-(4-ethanoylphenyl)piperazin-1-ium-1-yl]methyl]-6-ethyl-4-methyl-7-oxidanyl-chromen-2-one

Systemtic Name: 8-[[4-(4-ethanoylphenyl)piperazin-1-ium-1-yl]methyl]-6-ethyl-4-methyl-7-oxidanyl-chromen-2-one Openeye Name: 8-[[4-(4-acetylphenyl)piperazin-1-ium-1-yl]methyl]-6-ethyl-7-hydroxy-4-methyl-chromen-2-one CAS Name: 8-[[4-(4-acetylphenyl)-1-piperazin-1-iumyl]methyl]-6-ethyl-7-hydroxy-4-methyl-1-benzopyran-2-one IUPAC Name: 8-[[4-(4-acetylphenyl)piperazin-1-ium-1-yl]methyl]-6-ethyl-7-hydroxy-4-methylchromen-2-one Traditional Name: 8-[[4-(4-acetylphenyl)piperazin-1-ium-1-yl]methyl]-6-ethyl-7-hydroxy-4-methyl-coumarin Formula: C25H29N2O4+ MolecularWeight: 421.50876

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(=C2C(=C1)C(=CC(=O)O2)C)C[NH+]3CCN(CC3)C4=CC=C(C=C4)C(=O)C)O

Isomeric SMILES

CCC1=C(C(=C2C(=C1)C(=CC(=O)O2)C)C[NH+]3CCN(CC3)C4=CC=C(C=C4)C(=O)C)O

InChI

InChI=1S/C25H28N2O4/c1-4-18-14-21-16(2)13-23(29)31-25(21)22(24(18)30)15-26-9-11-27(12-10-26)20-7-5-19(6-8-20)17(3)28/h5-8,13-14,30H,4,9-12,15H2,1-3H3/p+1