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

Systemtic Name: 5-[(3-methylphenyl)methoxy]-2-[[4-(phenylmethyl)piperazin-1-ium-1-yl]methyl]pyran-4-one Openeye Name: 2-[(4-benzylpiperazin-1-ium-1-yl)methyl]-5-(m-tolylmethoxy)pyran-4-one CAS Name: 5-[(3-methylphenyl)methoxy]-2-[[4-(phenylmethyl)-1-piperazin-1-iumyl]methyl]-4-pyranone IUPAC Name: 2-[(4-benzylpiperazin-1-ium-1-yl)methyl]-5-[(3-methylphenyl)methoxy]pyran-4-one Traditional Name: 2-[(4-benzylpiperazin-1-ium-1-yl)methyl]-5-(3-methylbenzyl)oxy-pyran-4-one Formula: C25H29N2O3+ MolecularWeight: 405.50936

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)COC2=COC(=CC2=O)C[NH+]3CCN(CC3)CC4=CC=CC=C4

Isomeric SMILES

CC1=CC(=CC=C1)COC2=COC(=CC2=O)C[NH+]3CCN(CC3)CC4=CC=CC=C4

InChI

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