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

Systemtic Name: 7-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-hydroxy-chromen-2-one CAS Name: 7-hydroxy-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-hydroxychromen-2-one Traditional Name: 4-[(4-benzylpiperazine-1,4-diium-1-yl)methyl]-7-hydroxy-coumarin Formula: C21H24N2O3+2 MolecularWeight: 352.42686

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CC[NH+]1CC2=CC=CC=C2)CC3=CC(=O)OC4=C3C=CC(=C4)O

Isomeric SMILES

C1C[NH+](CC[NH+]1CC2=CC=CC=C2)CC3=CC(=O)OC4=C3C=CC(=C4)O

InChI

InChI=1S/C21H22N2O3/c24-18-6-7-19-17(12-21(25)26-20(19)13-18)15-23-10-8-22(9-11-23)14-16-4-2-1-3-5-16/h1-7,12-13,24H,8-11,14-15H2/p+2