5-[(4-nitrophenyl)methoxy]-2-[(4-phenylpiperazin-1-ium-1-yl)methyl]pyran-4-one

Systemtic Name: 5-[(4-nitrophenyl)methoxy]-2-[(4-phenylpiperazin-1-ium-1-yl)methyl]pyran-4-one Openeye Name: 5-[(4-nitrophenyl)methoxy]-2-[(4-phenylpiperazin-1-ium-1-yl)methyl]pyran-4-one CAS Name: 5-[(4-nitrophenyl)methoxy]-2-[(4-phenyl-1-piperazin-1-iumyl)methyl]-4-pyranone IUPAC Name: 5-[(4-nitrophenyl)methoxy]-2-[(4-phenylpiperazin-1-ium-1-yl)methyl]pyran-4-one Traditional Name: 5-(4-nitrobenzyl)oxy-2-[(4-phenylpiperazin-1-ium-1-yl)methyl]pyran-4-one Formula: C23H24N3O5+ MolecularWeight: 422.45376

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC(=O)C(=CO2)OCC3=CC=C(C=C3)[N+](=O)[O-])C4=CC=CC=C4

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC(=O)C(=CO2)OCC3=CC=C(C=C3)[N+](=O)[O-])C4=CC=CC=C4

InChI

InChI=1S/C23H23N3O5/c27-22-14-21(15-24-10-12-25(13-11-24)19-4-2-1-3-5-19)30-17-23(22)31-16-18-6-8-20(9-7-18)26(28)29/h1-9,14,17H,10-13,15-16H2/p+1