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

Systemtic Name: 2-[[4-(2-methoxyphenyl)piperazin-1-ium-1-yl]methyl]-5-[(1R)-1-phenylethoxy]pyran-4-one Openeye Name: 2-[[4-(2-methoxyphenyl)piperazin-1-ium-1-yl]methyl]-5-[(1R)-1-phenylethoxy]pyran-4-one CAS Name: 2-[[4-(2-methoxyphenyl)-1-piperazin-1-iumyl]methyl]-5-[(1R)-1-phenylethoxy]-4-pyranone IUPAC Name: 2-[[4-(2-methoxyphenyl)piperazin-1-ium-1-yl]methyl]-5-[(1R)-1-phenylethoxy]pyran-4-one Traditional Name: 2-[[4-(2-methoxyphenyl)piperazin-1-ium-1-yl]methyl]-5-[(1R)-1-phenylethoxy]pyran-4-one Formula: C25H29N2O4+ MolecularWeight: 421.50876

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=CC=C1)OC2=COC(=CC2=O)C[NH+]3CCN(CC3)C4=CC=CC=C4OC

Isomeric SMILES

C[C@H](C1=CC=CC=C1)OC2=COC(=CC2=O)C[NH+]3CCN(CC3)C4=CC=CC=C4OC

InChI

InChI=1S/C25H28N2O4/c1-19(20-8-4-3-5-9-20)31-25-18-30-21(16-23(25)28)17-26-12-14-27(15-13-26)22-10-6-7-11-24(22)29-2/h3-11,16,18-19H,12-15,17H2,1-2H3/p+1/t19-/m1/s1