7-[2-oxidanylidene-2-[4-(phenylmethyl)piperazin-4-ium-1-yl]ethoxy]-3-phenyl-chromen-4-one

Systemtic Name: 7-[2-oxidanylidene-2-[4-(phenylmethyl)piperazin-4-ium-1-yl]ethoxy]-3-phenyl-chromen-4-one Openeye Name: 7-[2-(4-benzylpiperazin-4-ium-1-yl)-2-oxo-ethoxy]-3-phenyl-chromen-4-one CAS Name: 7-[2-oxo-2-[4-(phenylmethyl)-1-piperazin-4-iumyl]ethoxy]-3-phenyl-1-benzopyran-4-one IUPAC Name: 7-[2-(4-benzylpiperazin-4-ium-1-yl)-2-oxoethoxy]-3-phenylchromen-4-one Traditional Name: 7-[2-(4-benzylpiperazin-4-ium-1-yl)-2-keto-ethoxy]-3-phenyl-chromone Formula: C28H27N2O4+ MolecularWeight: 455.52498

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC=CC=C2)C(=O)COC3=CC4=C(C=C3)C(=O)C(=CO4)C5=CC=CC=C5

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC=CC=C2)C(=O)COC3=CC4=C(C=C3)C(=O)C(=CO4)C5=CC=CC=C5

InChI

InChI=1S/C28H26N2O4/c31-27(30-15-13-29(14-16-30)18-21-7-3-1-4-8-21)20-33-23-11-12-24-26(17-23)34-19-25(28(24)32)22-9-5-2-6-10-22/h1-12,17,19H,13-16,18,20H2/p+1