[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl-[(6,7-dimethoxy-4-oxidanylidene-1H-quinazolin-2-yl)methyl]-methyl-azanium

Systemtic Name: [(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl-[(6,7-dimethoxy-4-oxidanylidene-1H-quinazolin-2-yl)methyl]-methyl-azanium Openeye Name: [(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl-[(6,7-dimethoxy-4-oxo-1H-quinazolin-2-yl)methyl]-methyl-ammonium CAS Name: [(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl-[(6,7-dimethoxy-4-oxo-1H-quinazolin-2-yl)methyl]-methylammonium IUPAC Name: [(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl-[(6,7-dimethoxy-4-oxo-1H-quinazolin-2-yl)methyl]-methylazanium Traditional Name: [(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl-[(4-keto-6,7-dimethoxy-1H-quinazolin-2-yl)methyl]-methyl-ammonium Formula: C21H24N3O5+ MolecularWeight: 398.43236

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](CC1COC2=CC=CC=C2O1)CC3=NC(=O)C4=CC(=C(C=C4N3)OC)OC

Isomeric SMILES

C[NH+](C[C@H]1COC2=CC=CC=C2O1)CC3=NC(=O)C4=CC(=C(C=C4N3)OC)OC

InChI

InChI=1S/C21H23N3O5/c1-24(10-13-12-28-16-6-4-5-7-17(16)29-13)11-20-22-15-9-19(27-3)18(26-2)8-14(15)21(25)23-20/h4-9,13H,10-12H2,1-3H3,(H,22,23,25)/p+1/t13-/m0/s1