7-oxidanyl-3-phenyl-8-[(4-phenylpiperazin-1-ium-1-yl)methyl]chromen-4-one

Systemtic Name: 7-oxidanyl-3-phenyl-8-[(4-phenylpiperazin-1-ium-1-yl)methyl]chromen-4-one Openeye Name: 7-hydroxy-3-phenyl-8-[(4-phenylpiperazin-1-ium-1-yl)methyl]chromen-4-one CAS Name: 7-hydroxy-3-phenyl-8-[(4-phenyl-1-piperazin-1-iumyl)methyl]-1-benzopyran-4-one IUPAC Name: 7-hydroxy-3-phenyl-8-[(4-phenylpiperazin-1-ium-1-yl)methyl]chromen-4-one Traditional Name: 7-hydroxy-3-phenyl-8-[(4-phenylpiperazin-1-ium-1-yl)methyl]chromone Formula: C26H25N2O3+ MolecularWeight: 413.4883

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=C(C=CC3=C2OC=C(C3=O)C4=CC=CC=C4)O)C5=CC=CC=C5

Isomeric SMILES

C1CN(CC[NH+]1CC2=C(C=CC3=C2OC=C(C3=O)C4=CC=CC=C4)O)C5=CC=CC=C5

InChI

InChI=1S/C26H24N2O3/c29-24-12-11-21-25(30)23(19-7-3-1-4-8-19)18-31-26(21)22(24)17-27-13-15-28(16-14-27)20-9-5-2-6-10-20/h1-12,18,29H,13-17H2/p+1