4-[[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-ium-1-yl]methyl]-7-methyl-5-oxidanyl-chromen-2-one

Systemtic Name: 4-[[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-ium-1-yl]methyl]-7-methyl-5-oxidanyl-chromen-2-one Openeye Name: 4-[[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-ium-1-yl]methyl]-5-hydroxy-7-methyl-chromen-2-one CAS Name: 4-[[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazin-1-iumyl]methyl]-5-hydroxy-7-methyl-1-benzopyran-2-one IUPAC Name: 4-[[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-ium-1-yl]methyl]-5-hydroxy-7-methylchromen-2-one Traditional Name: 5-hydroxy-7-methyl-4-[(4-piperonylpiperazin-1-ium-1-yl)methyl]coumarin Formula: C23H25N2O5+ MolecularWeight: 409.455

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C(=CC(=O)O2)C[NH+]3CCN(CC3)CC4=CC5=C(C=C4)OCO5)C(=C1)O

Isomeric SMILES

CC1=CC2=C(C(=CC(=O)O2)C[NH+]3CCN(CC3)CC4=CC5=C(C=C4)OCO5)C(=C1)O

InChI

InChI=1S/C23H24N2O5/c1-15-8-18(26)23-17(11-22(27)30-21(23)9-15)13-25-6-4-24(5-7-25)12-16-2-3-19-20(10-16)29-14-28-19/h2-3,8-11,26H,4-7,12-14H2,1H3/p+1