5-[(3-nitrophenyl)methoxy]-2-[[4-(phenylmethyl)piperazin-1-ium-1-yl]methyl]pyran-4-one

Systemtic Name: 5-[(3-nitrophenyl)methoxy]-2-[[4-(phenylmethyl)piperazin-1-ium-1-yl]methyl]pyran-4-one Openeye Name: 2-[(4-benzylpiperazin-1-ium-1-yl)methyl]-5-[(3-nitrophenyl)methoxy]pyran-4-one CAS Name: 5-[(3-nitrophenyl)methoxy]-2-[[4-(phenylmethyl)-1-piperazin-1-iumyl]methyl]-4-pyranone IUPAC Name: 2-[(4-benzylpiperazin-1-ium-1-yl)methyl]-5-[(3-nitrophenyl)methoxy]pyran-4-one Traditional Name: 2-[(4-benzylpiperazin-1-ium-1-yl)methyl]-5-(3-nitrobenzyl)oxy-pyran-4-one Formula: C24H26N3O5+ MolecularWeight: 436.48034

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC(=O)C(=CO2)OCC3=CC(=CC=C3)[N+](=O)[O-])CC4=CC=CC=C4

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC(=O)C(=CO2)OCC3=CC(=CC=C3)[N+](=O)[O-])CC4=CC=CC=C4

InChI

InChI=1S/C24H25N3O5/c28-23-14-22(16-26-11-9-25(10-12-26)15-19-5-2-1-3-6-19)31-18-24(23)32-17-20-7-4-8-21(13-20)27(29)30/h1-8,13-14,18H,9-12,15-17H2/p+1