2-oxidanylidene-7-phenyl-4-[[4-(phenylmethyl)piperazin-1-ium-1-yl]methyl]chromen-6-olate

Systemtic Name: 2-oxidanylidene-7-phenyl-4-[[4-(phenylmethyl)piperazin-1-ium-1-yl]methyl]chromen-6-olate Openeye Name: 4-[(4-benzylpiperazin-1-ium-1-yl)methyl]-2-oxo-7-phenyl-chromen-6-olate CAS Name: 2-oxo-7-phenyl-4-[[4-(phenylmethyl)-1-piperazin-1-iumyl]methyl]-1-benzopyran-6-olate IUPAC Name: 4-[(4-benzylpiperazin-1-ium-1-yl)methyl]-2-oxo-7-phenylchromen-6-olate Traditional Name: 4-[(4-benzylpiperazin-1-ium-1-yl)methyl]-2-keto-7-phenyl-chromen-6-olate Formula: C27H26N2O3 MolecularWeight: 426.50694

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC(=O)OC3=CC(=C(C=C23)[O-])C4=CC=CC=C4)CC5=CC=CC=C5

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC(=O)OC3=CC(=C(C=C23)[O-])C4=CC=CC=C4)CC5=CC=CC=C5

InChI

InChI=1S/C27H26N2O3/c30-25-16-24-22(15-27(31)32-26(24)17-23(25)21-9-5-2-6-10-21)19-29-13-11-28(12-14-29)18-20-7-3-1-4-8-20/h1-10,15-17,30H,11-14,18-19H2