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

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

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](CC1COC2=CC=CC=C2O1)CC3=CC(=O)OC4=C3C=CC(=C4)OC

Isomeric SMILES

C[NH+](C[C@H]1COC2=CC=CC=C2O1)CC3=CC(=O)OC4=C3C=CC(=C4)OC

InChI

InChI=1S/C21H21NO5/c1-22(12-16-13-25-18-5-3-4-6-19(18)26-16)11-14-9-21(23)27-20-10-15(24-2)7-8-17(14)20/h3-10,16H,11-13H2,1-2H3/p+1/t16-/m0/s1