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

Systemtic Name: [(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl-[(8-methyl-7-oxidanyl-2-oxidanylidene-chromen-4-yl)methyl]azanium Openeye Name: [(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl-[(7-hydroxy-8-methyl-2-oxo-chromen-4-yl)methyl]ammonium CAS Name: [(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl-[(7-hydroxy-8-methyl-2-oxo-1-benzopyran-4-yl)methyl]ammonium IUPAC Name: [(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl-[(7-hydroxy-8-methyl-2-oxochromen-4-yl)methyl]azanium Traditional Name: [(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl-[(7-hydroxy-2-keto-8-methyl-chromen-4-yl)methyl]ammonium Formula: C20H20NO5+ MolecularWeight: 354.3765

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC2=C1OC(=O)C=C2C[NH2+]CC3COC4=CC=CC=C4O3)O

Isomeric SMILES

CC1=C(C=CC2=C1OC(=O)C=C2C[NH2+]C[C@H]3COC4=CC=CC=C4O3)O

InChI

InChI=1S/C20H19NO5/c1-12-16(22)7-6-15-13(8-19(23)26-20(12)15)9-21-10-14-11-24-17-4-2-3-5-18(17)25-14/h2-8,14,21-22H,9-11H2,1H3/p+1/t14-/m0/s1