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

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

Systemtic Name:2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl-[(8-methyl-7-oxidanyl-2-oxidanylidene-chromen-4-yl)methyl]azanium
Openeye Name:2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl-[(7-hydroxy-8-methyl-2-oxo-chromen-4-yl)methyl]ammonium
CAS Name:2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl-[(7-hydroxy-8-methyl-2-oxo-1-benzopyran-4-yl)methyl]ammonium
IUPAC Name:2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl-[(7-hydroxy-8-methyl-2-oxochromen-4-yl)methyl]azanium
Traditional Name:2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl-[(7-hydroxy-2-keto-8-methyl-chromen-4-yl)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[NH2+]CCC3=CC4=C(C=C3)OCCO4)O


Isomeric SMILES

CC1=C(C=CC2=C1OC(=O)C=C2C[NH2+]CCC3=CC4=C(C=C3)OCCO4)O


InChI

InChI=1S/C21H21NO5/c1-13-17(23)4-3-16-15(11-20(24)27-21(13)16)12-22-7-6-14-2-5-18-19(10-14)26-9-8-25-18/h2-5,10-11,22-23H,6-9,12H2,1H3/p+1


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