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

Systemtic Name: 1,3-benzodioxol-5-ylmethyl-ethyl-[(8-methyl-7-oxidanyl-2-oxidanylidene-chromen-4-yl)methyl]azanium Openeye Name: 1,3-benzodioxol-5-ylmethyl-ethyl-[(7-hydroxy-8-methyl-2-oxo-chromen-4-yl)methyl]ammonium CAS Name: 1,3-benzodioxol-5-ylmethyl-ethyl-[(7-hydroxy-8-methyl-2-oxo-1-benzopyran-4-yl)methyl]ammonium IUPAC Name: 1,3-benzodioxol-5-ylmethyl-ethyl-[(7-hydroxy-8-methyl-2-oxochromen-4-yl)methyl]azanium Traditional Name: ethyl-[(7-hydroxy-2-keto-8-methyl-chromen-4-yl)methyl]-piperonyl-ammonium Formula: C21H22NO5+ MolecularWeight: 368.40308

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC1=CC2=C(C=C1)OCO2)CC3=CC(=O)OC4=C3C=CC(=C4C)O

Isomeric SMILES

CC[NH+](CC1=CC2=C(C=C1)OCO2)CC3=CC(=O)OC4=C3C=CC(=C4C)O

InChI

InChI=1S/C21H21NO5/c1-3-22(10-14-4-7-18-19(8-14)26-12-25-18)11-15-9-20(24)27-21-13(2)17(23)6-5-16(15)21/h4-9,23H,3,10-12H2,1-2H3/p+1