2-[[4-(3-chlorophenyl)piperazin-1-ium-1-yl]methyl]-5-[(1R)-1-phenylethoxy]pyran-4-one

Systemtic Name: 2-[[4-(3-chlorophenyl)piperazin-1-ium-1-yl]methyl]-5-[(1R)-1-phenylethoxy]pyran-4-one Openeye Name: 2-[[4-(3-chlorophenyl)piperazin-1-ium-1-yl]methyl]-5-[(1R)-1-phenylethoxy]pyran-4-one CAS Name: 2-[[4-(3-chlorophenyl)-1-piperazin-1-iumyl]methyl]-5-[(1R)-1-phenylethoxy]-4-pyranone IUPAC Name: 2-[[4-(3-chlorophenyl)piperazin-1-ium-1-yl]methyl]-5-[(1R)-1-phenylethoxy]pyran-4-one Traditional Name: 2-[[4-(3-chlorophenyl)piperazin-1-ium-1-yl]methyl]-5-[(1R)-1-phenylethoxy]pyran-4-one Formula: C24H26ClN2O3+ MolecularWeight: 425.92784

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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=C4)Cl

Isomeric SMILES

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

InChI

InChI=1S/C24H25ClN2O3/c1-18(19-6-3-2-4-7-19)30-24-17-29-22(15-23(24)28)16-26-10-12-27(13-11-26)21-9-5-8-20(25)14-21/h2-9,14-15,17-18H,10-13,16H2,1H3/p+1/t18-/m1/s1