[2-(1,3-benzodioxol-5-ylmethylidene)-6-oxidanyl-3-oxidanylidene-1-benzofuran-7-yl]methyl-methyl-(phenylmethyl)azanium

Systemtic Name: [2-(1,3-benzodioxol-5-ylmethylidene)-6-oxidanyl-3-oxidanylidene-1-benzofuran-7-yl]methyl-methyl-(phenylmethyl)azanium Openeye Name: [2-(1,3-benzodioxol-5-ylmethylene)-6-hydroxy-3-oxo-benzofuran-7-yl]methyl-benzyl-methyl-ammonium CAS Name: [2-(1,3-benzodioxol-5-ylmethylidene)-6-hydroxy-3-oxo-7-benzofuranyl]methyl-methyl-(phenylmethyl)ammonium IUPAC Name: [2-(1,3-benzodioxol-5-ylmethylidene)-6-hydroxy-3-oxo-1-benzofuran-7-yl]methyl-benzyl-methylazanium Traditional Name: benzyl-[(6-hydroxy-3-keto-2-piperonylidene-coumaran-7-yl)methyl]-methyl-ammonium Formula: C25H22NO5+ MolecularWeight: 416.44588

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](CC1=CC=CC=C1)CC2=C(C=CC3=C2OC(=CC4=CC5=C(C=C4)OCO5)C3=O)O

Isomeric SMILES

C[NH+](CC1=CC=CC=C1)CC2=C(C=CC3=C2OC(=CC4=CC5=C(C=C4)OCO5)C3=O)O

InChI

InChI=1S/C25H21NO5/c1-26(13-16-5-3-2-4-6-16)14-19-20(27)9-8-18-24(28)23(31-25(18)19)12-17-7-10-21-22(11-17)30-15-29-21/h2-12,27H,13-15H2,1H3/p+1