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

Systemtic Name: [(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl-ethyl-[(6-ethyl-7-oxidanyl-2-oxidanylidene-chromen-4-yl)methyl]azanium Openeye Name: [(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl-ethyl-[(6-ethyl-7-hydroxy-2-oxo-chromen-4-yl)methyl]ammonium CAS Name: [(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl-ethyl-[(6-ethyl-7-hydroxy-2-oxo-1-benzopyran-4-yl)methyl]ammonium IUPAC Name: [(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl-ethyl-[(6-ethyl-7-hydroxy-2-oxochromen-4-yl)methyl]azanium Traditional Name: [(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl-ethyl-[(6-ethyl-7-hydroxy-2-keto-chromen-4-yl)methyl]ammonium Formula: C23H26NO5+ MolecularWeight: 396.45624

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H25NO5/c1-3-15-9-18-16(10-23(26)29-22(18)11-19(15)25)12-24(4-2)13-17-14-27-20-7-5-6-8-21(20)28-17/h5-11,17,25H,3-4,12-14H2,1-2H3/p+1/t17-/m0/s1