1,3-benzodioxol-5-ylmethyl-methyl-[(8-methyl-7-oxidanyl-2-oxidanylidene-chromen-4-yl)methyl]azanium

Systemtic Name: 1,3-benzodioxol-5-ylmethyl-methyl-[(8-methyl-7-oxidanyl-2-oxidanylidene-chromen-4-yl)methyl]azanium Openeye Name: 1,3-benzodioxol-5-ylmethyl-[(7-hydroxy-8-methyl-2-oxo-chromen-4-yl)methyl]-methyl-ammonium CAS Name: 1,3-benzodioxol-5-ylmethyl-[(7-hydroxy-8-methyl-2-oxo-1-benzopyran-4-yl)methyl]-methylammonium IUPAC Name: 1,3-benzodioxol-5-ylmethyl-[(7-hydroxy-8-methyl-2-oxochromen-4-yl)methyl]-methylazanium Traditional Name: (7-hydroxy-2-keto-8-methyl-chromen-4-yl)methyl-methyl-piperonyl-ammonium Formula: C20H20NO5+ MolecularWeight: 354.3765

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC2=C1OC(=O)C=C2C[NH+](C)CC3=CC4=C(C=C3)OCO4)O

Isomeric SMILES

CC1=C(C=CC2=C1OC(=O)C=C2C[NH+](C)CC3=CC4=C(C=C3)OCO4)O

InChI

InChI=1S/C20H19NO5/c1-12-16(22)5-4-15-14(8-19(23)26-20(12)15)10-21(2)9-13-3-6-17-18(7-13)25-11-24-17/h3-8,22H,9-11H2,1-2H3/p+1