[3-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methyl-4-oxidanyl-7-oxidanylidene-5,6,8,8a-tetrahydrochromen-8-yl]methyl-dimethyl-azanium

Systemtic Name: [3-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methyl-4-oxidanyl-7-oxidanylidene-5,6,8,8a-tetrahydrochromen-8-yl]methyl-dimethyl-azanium Openeye Name: [3-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-hydroxy-2-methyl-7-oxo-5,6,8,8a-tetrahydrochromen-8-yl]methyl-dimethyl-ammonium CAS Name: [3-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-hydroxy-2-methyl-7-oxo-5,6,8,8a-tetrahydro-1-benzopyran-8-yl]methyl-dimethylammonium IUPAC Name: [3-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-hydroxy-2-methyl-7-oxo-5,6,8,8a-tetrahydrochromen-8-yl]methyl-dimethylazanium Traditional Name: [3-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-hydroxy-7-keto-2-methyl-5,6,8,8a-tetrahydrochromen-8-yl]methyl-dimethyl-ammonium Formula: C21H26NO5+ MolecularWeight: 372.43484

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C2CCC(=O)C(C2O1)C[NH+](C)C)O)C3=CC4=C(C=C3)OCCO4

Isomeric SMILES

CC1=C(C(=C2CCC(=O)C(C2O1)C[NH+](C)C)O)C3=CC4=C(C=C3)OCCO4

InChI

InChI=1S/C21H25NO5/c1-12-19(13-4-7-17-18(10-13)26-9-8-25-17)20(24)14-5-6-16(23)15(11-22(2)3)21(14)27-12/h4,7,10,15,21,24H,5-6,8-9,11H2,1-3H3/p+1