7,8-bis(oxidanyl)-4-[[4-(phenylmethyl)piperazine-1,4-diium-1-yl]methyl]chromen-2-one

Systemtic Name: 7,8-bis(oxidanyl)-4-[[4-(phenylmethyl)piperazine-1,4-diium-1-yl]methyl]chromen-2-one Openeye Name: 4-[(4-benzylpiperazine-1,4-diium-1-yl)methyl]-7,8-dihydroxy-chromen-2-one CAS Name: 7,8-dihydroxy-4-[[4-(phenylmethyl)-1-piperazine-1,4-diiumyl]methyl]-1-benzopyran-2-one IUPAC Name: 4-[(4-benzylpiperazine-1,4-diium-1-yl)methyl]-7,8-dihydroxychromen-2-one Traditional Name: 4-[(4-benzylpiperazine-1,4-diium-1-yl)methyl]-7,8-dihydroxy-coumarin Formula: C21H24N2O4+2 MolecularWeight: 368.42626

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CC[NH+]1CC2=CC=CC=C2)CC3=CC(=O)OC4=C3C=CC(=C4O)O

Isomeric SMILES

C1C[NH+](CC[NH+]1CC2=CC=CC=C2)CC3=CC(=O)OC4=C3C=CC(=C4O)O

InChI

InChI=1S/C21H22N2O4/c24-18-7-6-17-16(12-19(25)27-21(17)20(18)26)14-23-10-8-22(9-11-23)13-15-4-2-1-3-5-15/h1-7,12,24,26H,8-11,13-14H2/p+2