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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C=C2C(=C1)C(=CC(=O)O2)C[NH2+]CC3COC4=CC=CC=C4O3)O

Isomeric SMILES

CCC1=C(C=C2C(=C1)C(=CC(=O)O2)C[NH2+]C[C@H]3COC4=CC=CC=C4O3)O

InChI

InChI=1S/C21H21NO5/c1-2-13-7-16-14(8-21(24)27-20(16)9-17(13)23)10-22-11-15-12-25-18-5-3-4-6-19(18)26-15/h3-9,15,22-23H,2,10-12H2,1H3/p+1/t15-/m0/s1