2,3-dihydro-1,4-benzodioxin-6-ylmethyl-methyl-[(8-methyl-7-oxidanyl-2-oxidanylidene-chromen-4-yl)methyl]azanium

Systemtic Name: 2,3-dihydro-1,4-benzodioxin-6-ylmethyl-methyl-[(8-methyl-7-oxidanyl-2-oxidanylidene-chromen-4-yl)methyl]azanium Openeye Name: 2,3-dihydro-1,4-benzodioxin-6-ylmethyl-[(7-hydroxy-8-methyl-2-oxo-chromen-4-yl)methyl]-methyl-ammonium CAS Name: 2,3-dihydro-1,4-benzodioxin-6-ylmethyl-[(7-hydroxy-8-methyl-2-oxo-1-benzopyran-4-yl)methyl]-methylammonium IUPAC Name: 2,3-dihydro-1,4-benzodioxin-6-ylmethyl-[(7-hydroxy-8-methyl-2-oxochromen-4-yl)methyl]-methylazanium Traditional Name: 2,3-dihydro-1,4-benzodioxin-6-ylmethyl-[(7-hydroxy-2-keto-8-methyl-chromen-4-yl)methyl]-methyl-ammonium Formula: C21H22NO5+ MolecularWeight: 368.40308

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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)OCCO4)O

Isomeric SMILES

CC1=C(C=CC2=C1OC(=O)C=C2C[NH+](C)CC3=CC4=C(C=C3)OCCO4)O

InChI

InChI=1S/C21H21NO5/c1-13-17(23)5-4-16-15(10-20(24)27-21(13)16)12-22(2)11-14-3-6-18-19(9-14)26-8-7-25-18/h3-6,9-10,23H,7-8,11-12H2,1-2H3/p+1