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

Systemtic Name: 5-[(1R)-1-phenylethoxy]-2-[[4-(phenylmethyl)piperazin-1-ium-1-yl]methyl]pyran-4-one Openeye Name: 2-[(4-benzylpiperazin-1-ium-1-yl)methyl]-5-[(1R)-1-phenylethoxy]pyran-4-one CAS Name: 5-[(1R)-1-phenylethoxy]-2-[[4-(phenylmethyl)-1-piperazin-1-iumyl]methyl]-4-pyranone IUPAC Name: 2-[(4-benzylpiperazin-1-ium-1-yl)methyl]-5-[(1R)-1-phenylethoxy]pyran-4-one Traditional Name: 2-[(4-benzylpiperazin-1-ium-1-yl)methyl]-5-[(1R)-1-phenylethoxy]pyran-4-one Formula: C25H29N2O3+ MolecularWeight: 405.50936

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=CC=C1)OC2=COC(=CC2=O)C[NH+]3CCN(CC3)CC4=CC=CC=C4

Isomeric SMILES

C[C@H](C1=CC=CC=C1)OC2=COC(=CC2=O)C[NH+]3CCN(CC3)CC4=CC=CC=C4

InChI

InChI=1S/C25H28N2O3/c1-20(22-10-6-3-7-11-22)30-25-19-29-23(16-24(25)28)18-27-14-12-26(13-15-27)17-21-8-4-2-5-9-21/h2-11,16,19-20H,12-15,17-18H2,1H3/p+1/t20-/m1/s1