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

Systemtic Name: 6-oxidanyl-7-phenyl-4-[(4-phenylpiperazin-1-ium-1-yl)methyl]chromen-2-one Openeye Name: 6-hydroxy-7-phenyl-4-[(4-phenylpiperazin-1-ium-1-yl)methyl]chromen-2-one CAS Name: 6-hydroxy-7-phenyl-4-[(4-phenyl-1-piperazin-1-iumyl)methyl]-1-benzopyran-2-one IUPAC Name: 6-hydroxy-7-phenyl-4-[(4-phenylpiperazin-1-ium-1-yl)methyl]chromen-2-one Traditional Name: 6-hydroxy-7-phenyl-4-[(4-phenylpiperazin-1-ium-1-yl)methyl]coumarin Formula: C26H25N2O3+ MolecularWeight: 413.4883

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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)C5=CC=CC=C5

Isomeric SMILES

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

InChI

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