7-[2-oxidanyl-3-(1-phenylpiperazin-1-ium-1-yl)propoxy]-2-phenyl-chromen-4-one

Systemtic Name: 7-[2-oxidanyl-3-(1-phenylpiperazin-1-ium-1-yl)propoxy]-2-phenyl-chromen-4-one Openeye Name: 7-[2-hydroxy-3-(1-phenylpiperazin-1-ium-1-yl)propoxy]-2-phenyl-chromen-4-one CAS Name: 7-[2-hydroxy-3-(1-phenyl-1-piperazin-1-iumyl)propoxy]-2-phenyl-1-benzopyran-4-one IUPAC Name: 7-[2-hydroxy-3-(1-phenylpiperazin-1-ium-1-yl)propoxy]-2-phenylchromen-4-one Traditional Name: 7-[2-hydroxy-3-(1-phenylpiperazin-1-ium-1-yl)propoxy]-2-phenyl-chromone Formula: C28H29N2O4+ MolecularWeight: 457.54086

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Descriptors Computed from Structure

Canonical SMILES:

C1C[N+](CCN1)(CC(COC2=CC3=C(C=C2)C(=O)C=C(O3)C4=CC=CC=C4)O)C5=CC=CC=C5

Isomeric SMILES

C1C[N+](CCN1)(CC(COC2=CC3=C(C=C2)C(=O)C=C(O3)C4=CC=CC=C4)O)C5=CC=CC=C5

InChI

InChI=1S/C28H29N2O4/c31-23(19-30(15-13-29-14-16-30)22-9-5-2-6-10-22)20-33-24-11-12-25-26(32)18-27(34-28(25)17-24)21-7-3-1-4-8-21/h1-12,17-18,23,29,31H,13-16,19-20H2/q+1