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

Systemtic Name: 2-[[4-(3-chlorophenyl)piperazin-1-ium-1-yl]methyl]-5-[(3-methylphenyl)methoxy]pyran-4-one Openeye Name: 2-[[4-(3-chlorophenyl)piperazin-1-ium-1-yl]methyl]-5-(m-tolylmethoxy)pyran-4-one CAS Name: 2-[[4-(3-chlorophenyl)-1-piperazin-1-iumyl]methyl]-5-[(3-methylphenyl)methoxy]-4-pyranone IUPAC Name: 2-[[4-(3-chlorophenyl)piperazin-1-ium-1-yl]methyl]-5-[(3-methylphenyl)methoxy]pyran-4-one Traditional Name: 2-[[4-(3-chlorophenyl)piperazin-1-ium-1-yl]methyl]-5-(3-methylbenzyl)oxy-pyran-4-one Formula: C24H26ClN2O3+ MolecularWeight: 425.92784

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)COC2=COC(=CC2=O)C[NH+]3CCN(CC3)C4=CC(=CC=C4)Cl

Isomeric SMILES

CC1=CC(=CC=C1)COC2=COC(=CC2=O)C[NH+]3CCN(CC3)C4=CC(=CC=C4)Cl

InChI

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