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

Systemtic Name: 5-[(3-methoxyphenyl)methoxy]-2-[4-(phenylmethyl)piperazin-4-ium-1-yl]carbonyl-pyran-4-one Openeye Name: 2-(4-benzylpiperazin-4-ium-1-carbonyl)-5-[(3-methoxyphenyl)methoxy]pyran-4-one CAS Name: 5-[(3-methoxyphenyl)methoxy]-2-[oxo-[4-(phenylmethyl)-1-piperazin-4-iumyl]methyl]-4-pyranone IUPAC Name: 2-(4-benzylpiperazin-4-ium-1-carbonyl)-5-[(3-methoxyphenyl)methoxy]pyran-4-one Traditional Name: 2-(4-benzylpiperazin-4-ium-1-carbonyl)-5-m-anisyloxy-pyran-4-one Formula: C25H27N2O5+ MolecularWeight: 435.49228

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)COC2=COC(=CC2=O)C(=O)N3CC[NH+](CC3)CC4=CC=CC=C4

Isomeric SMILES

COC1=CC=CC(=C1)COC2=COC(=CC2=O)C(=O)N3CC[NH+](CC3)CC4=CC=CC=C4

InChI

InChI=1S/C25H26N2O5/c1-30-21-9-5-8-20(14-21)17-31-24-18-32-23(15-22(24)28)25(29)27-12-10-26(11-13-27)16-19-6-3-2-4-7-19/h2-9,14-15,18H,10-13,16-17H2,1H3/p+1