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

Systemtic Name: 5-[(1R)-1-phenylethoxy]-2-[(4-phenylpiperazin-1-ium-1-yl)methyl]pyran-4-one Openeye Name: 5-[(1R)-1-phenylethoxy]-2-[(4-phenylpiperazin-1-ium-1-yl)methyl]pyran-4-one CAS Name: 5-[(1R)-1-phenylethoxy]-2-[(4-phenyl-1-piperazin-1-iumyl)methyl]-4-pyranone IUPAC Name: 5-[(1R)-1-phenylethoxy]-2-[(4-phenylpiperazin-1-ium-1-yl)methyl]pyran-4-one Traditional Name: 5-[(1R)-1-phenylethoxy]-2-[(4-phenylpiperazin-1-ium-1-yl)methyl]pyran-4-one Formula: C24H27N2O3+ MolecularWeight: 391.48278

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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

Isomeric SMILES

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

InChI

InChI=1S/C24H26N2O3/c1-19(20-8-4-2-5-9-20)29-24-18-28-22(16-23(24)27)17-25-12-14-26(15-13-25)21-10-6-3-7-11-21/h2-11,16,18-19H,12-15,17H2,1H3/p+1/t19-/m1/s1