7,8-bis(oxidanyl)-4-[(4-phenylpiperazin-1-ium-1-yl)methyl]chromen-2-one

Systemtic Name: 7,8-bis(oxidanyl)-4-[(4-phenylpiperazin-1-ium-1-yl)methyl]chromen-2-one Openeye Name: 7,8-dihydroxy-4-[(4-phenylpiperazin-1-ium-1-yl)methyl]chromen-2-one CAS Name: 7,8-dihydroxy-4-[(4-phenyl-1-piperazin-1-iumyl)methyl]-1-benzopyran-2-one IUPAC Name: 7,8-dihydroxy-4-[(4-phenylpiperazin-1-ium-1-yl)methyl]chromen-2-one Traditional Name: 7,8-dihydroxy-4-[(4-phenylpiperazin-1-ium-1-yl)methyl]coumarin Formula: C20H21N2O4+ MolecularWeight: 353.39174

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC(=O)OC3=C2C=CC(=C3O)O)C4=CC=CC=C4

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC(=O)OC3=C2C=CC(=C3O)O)C4=CC=CC=C4

InChI

InChI=1S/C20H20N2O4/c23-17-7-6-16-14(12-18(24)26-20(16)19(17)25)13-21-8-10-22(11-9-21)15-4-2-1-3-5-15/h1-7,12,23,25H,8-11,13H2/p+1