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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1COC2=COC(=CC2=O)C[NH+]3CCN(CC3)CC4=CC=CC=C4

Isomeric SMILES

CC1=CC=CC=C1COC2=COC(=CC2=O)C[NH+]3CCN(CC3)CC4=CC=CC=C4

InChI

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