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

Systemtic Name: 5-phenylmethoxy-2-[[4-(phenylmethyl)piperazin-1-ium-1-yl]methyl]pyran-4-one Openeye Name: 5-benzyloxy-2-[(4-benzylpiperazin-1-ium-1-yl)methyl]pyran-4-one CAS Name: 5-phenylmethoxy-2-[[4-(phenylmethyl)-1-piperazin-1-iumyl]methyl]-4-pyranone IUPAC Name: 2-[(4-benzylpiperazin-1-ium-1-yl)methyl]-5-phenylmethoxypyran-4-one Traditional Name: 5-benzoxy-2-[(4-benzylpiperazin-1-ium-1-yl)methyl]pyran-4-one Formula: C24H27N2O3+ MolecularWeight: 391.48278

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H26N2O3/c27-23-15-22(28-19-24(23)29-18-21-9-5-2-6-10-21)17-26-13-11-25(12-14-26)16-20-7-3-1-4-8-20/h1-10,15,19H,11-14,16-18H2/p+1