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

Systemtic Name: 5-(2-oxidanylidene-2-piperidin-1-yl-ethoxy)-2-[[4-(phenylmethyl)piperazin-1-ium-1-yl]methyl]pyran-4-one Openeye Name: 2-[(4-benzylpiperazin-1-ium-1-yl)methyl]-5-[2-oxo-2-(1-piperidyl)ethoxy]pyran-4-one CAS Name: 5-[2-oxo-2-(1-piperidinyl)ethoxy]-2-[[4-(phenylmethyl)-1-piperazin-1-iumyl]methyl]-4-pyranone IUPAC Name: 2-[(4-benzylpiperazin-1-ium-1-yl)methyl]-5-(2-oxo-2-piperidin-1-ylethoxy)pyran-4-one Traditional Name: 2-[(4-benzylpiperazin-1-ium-1-yl)methyl]-5-(2-keto-2-piperidino-ethoxy)pyran-4-one Formula: C24H32N3O4+ MolecularWeight: 426.52858

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)C(=O)COC2=COC(=CC2=O)C[NH+]3CCN(CC3)CC4=CC=CC=C4

Isomeric SMILES

C1CCN(CC1)C(=O)COC2=COC(=CC2=O)C[NH+]3CCN(CC3)CC4=CC=CC=C4

InChI

InChI=1S/C24H31N3O4/c28-22-15-21(30-18-23(22)31-19-24(29)27-9-5-2-6-10-27)17-26-13-11-25(12-14-26)16-20-7-3-1-4-8-20/h1,3-4,7-8,15,18H,2,5-6,9-14,16-17,19H2/p+1