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

Systemtic Name: 4-[[4-(diphenylmethyl)piperazin-1-ium-1-yl]methyl]-2-oxidanylidene-7-phenyl-chromen-6-olate Openeye Name: 4-[(4-benzhydrylpiperazin-1-ium-1-yl)methyl]-2-oxo-7-phenyl-chromen-6-olate CAS Name: 4-[[4-(diphenylmethyl)-1-piperazin-1-iumyl]methyl]-2-oxo-7-phenyl-1-benzopyran-6-olate IUPAC Name: 4-[(4-benzhydrylpiperazin-1-ium-1-yl)methyl]-2-oxo-7-phenylchromen-6-olate Traditional Name: 4-[(4-benzhydrylpiperazin-1-ium-1-yl)methyl]-2-keto-7-phenyl-chromen-6-olate Formula: C33H30N2O3 MolecularWeight: 502.6029

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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)C(C5=CC=CC=C5)C6=CC=CC=C6

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC(=O)OC3=CC(=C(C=C23)[O-])C4=CC=CC=C4)C(C5=CC=CC=C5)C6=CC=CC=C6

InChI

InChI=1S/C33H30N2O3/c36-30-21-29-27(20-32(37)38-31(29)22-28(30)24-10-4-1-5-11-24)23-34-16-18-35(19-17-34)33(25-12-6-2-7-13-25)26-14-8-3-9-15-26/h1-15,20-22,33,36H,16-19,23H2