4-[[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-ium-1-yl]methyl]-6-oxidanyl-7-phenyl-chromen-2-one

Systemtic Name: 4-[[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-ium-1-yl]methyl]-6-oxidanyl-7-phenyl-chromen-2-one Openeye Name: 4-[[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-ium-1-yl]methyl]-6-hydroxy-7-phenyl-chromen-2-one CAS Name: 4-[[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazin-1-iumyl]methyl]-6-hydroxy-7-phenyl-1-benzopyran-2-one IUPAC Name: 4-[[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-ium-1-yl]methyl]-6-hydroxy-7-phenylchromen-2-one Traditional Name: 6-hydroxy-7-phenyl-4-[(4-piperonylpiperazin-1-ium-1-yl)methyl]coumarin Formula: C28H27N2O5+ MolecularWeight: 471.52438

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC(=O)OC3=CC(=C(C=C23)O)C4=CC=CC=C4)CC5=CC6=C(C=C5)OCO6

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC(=O)OC3=CC(=C(C=C23)O)C4=CC=CC=C4)CC5=CC6=C(C=C5)OCO6

InChI

InChI=1S/C28H26N2O5/c31-24-14-23-21(13-28(32)35-26(23)15-22(24)20-4-2-1-3-5-20)17-30-10-8-29(9-11-30)16-19-6-7-25-27(12-19)34-18-33-25/h1-7,12-15,31H,8-11,16-18H2/p+1