7-oxidanyl-2-oxidanylidene-4-[[4-(phenylmethyl)piperazin-1-ium-1-yl]methyl]chromen-8-olate

Systemtic Name: 7-oxidanyl-2-oxidanylidene-4-[[4-(phenylmethyl)piperazin-1-ium-1-yl]methyl]chromen-8-olate Openeye Name: 4-[(4-benzylpiperazin-1-ium-1-yl)methyl]-7-hydroxy-2-oxo-chromen-8-olate CAS Name: 7-hydroxy-2-oxo-4-[[4-(phenylmethyl)-1-piperazin-1-iumyl]methyl]-1-benzopyran-8-olate IUPAC Name: 4-[(4-benzylpiperazin-1-ium-1-yl)methyl]-7-hydroxy-2-oxochromen-8-olate Traditional Name: 4-[(4-benzylpiperazin-1-ium-1-yl)methyl]-7-hydroxy-2-keto-chromen-8-olate Formula: C21H22N2O4 MolecularWeight: 366.41038

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC(=O)OC3=C2C=CC(=C3[O-])O)CC4=CC=CC=C4

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC(=O)OC3=C2C=CC(=C3[O-])O)CC4=CC=CC=C4

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