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

Systemtic Name: [(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl-[(7-ethyl-2-oxidanylidene-chromen-4-yl)methyl]azanium Openeye Name: [(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl-[(7-ethyl-2-oxo-chromen-4-yl)methyl]ammonium CAS Name: [(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl-[(7-ethyl-2-oxo-1-benzopyran-4-yl)methyl]ammonium IUPAC Name: [(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl-[(7-ethyl-2-oxochromen-4-yl)methyl]azanium Traditional Name: [(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl-[(7-ethyl-2-keto-chromen-4-yl)methyl]ammonium Formula: C21H22NO4+ MolecularWeight: 352.40368

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC2=C(C=C1)C(=CC(=O)O2)C[NH2+]CC3COC4=CC=CC=C4O3

Isomeric SMILES

CCC1=CC2=C(C=C1)C(=CC(=O)O2)C[NH2+]C[C@H]3COC4=CC=CC=C4O3

InChI

InChI=1S/C21H21NO4/c1-2-14-7-8-17-15(10-21(23)26-20(17)9-14)11-22-12-16-13-24-18-5-3-4-6-19(18)25-16/h3-10,16,22H,2,11-13H2,1H3/p+1/t16-/m0/s1