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

Systemtic Name: 6-ethyl-7-oxidanyl-4-[[4-(phenylcarbonyl)piperazin-1-ium-1-yl]methyl]chromen-2-one Openeye Name: 4-[(4-benzoylpiperazin-1-ium-1-yl)methyl]-6-ethyl-7-hydroxy-chromen-2-one CAS Name: 4-[(4-benzoyl-1-piperazin-1-iumyl)methyl]-6-ethyl-7-hydroxy-1-benzopyran-2-one IUPAC Name: 4-[(4-benzoylpiperazin-1-ium-1-yl)methyl]-6-ethyl-7-hydroxychromen-2-one Traditional Name: 4-[(4-benzoylpiperazin-1-ium-1-yl)methyl]-6-ethyl-7-hydroxy-coumarin Formula: C23H25N2O4+ MolecularWeight: 393.4556

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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