(6,7-dimethoxy-4-oxidanylidene-1H-quinazolin-2-yl)methyl-ethyl-[(2R)-3-(furan-2-ylmethoxy)-2-oxidanyl-propyl]azanium

Systemtic Name: (6,7-dimethoxy-4-oxidanylidene-1H-quinazolin-2-yl)methyl-ethyl-[(2R)-3-(furan-2-ylmethoxy)-2-oxidanyl-propyl]azanium Openeye Name: (6,7-dimethoxy-4-oxo-1H-quinazolin-2-yl)methyl-ethyl-[(2R)-3-(2-furylmethoxy)-2-hydroxy-propyl]ammonium CAS Name: (6,7-dimethoxy-4-oxo-1H-quinazolin-2-yl)methyl-ethyl-[(2R)-3-(2-furanylmethoxy)-2-hydroxypropyl]ammonium IUPAC Name: (6,7-dimethoxy-4-oxo-1H-quinazolin-2-yl)methyl-ethyl-[(2R)-3-(furan-2-ylmethoxy)-2-hydroxypropyl]azanium Traditional Name: ethyl-[(2R)-3-(2-furfuryloxy)-2-hydroxy-propyl]-[(4-keto-6,7-dimethoxy-1H-quinazolin-2-yl)methyl]ammonium Formula: C21H28N3O6+ MolecularWeight: 418.46352

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC1=NC(=O)C2=CC(=C(C=C2N1)OC)OC)CC(COCC3=CC=CO3)O

Isomeric SMILES

CC[NH+](CC1=NC(=O)C2=CC(=C(C=C2N1)OC)OC)C[C@H](COCC3=CC=CO3)O

InChI

InChI=1S/C21H27N3O6/c1-4-24(10-14(25)12-29-13-15-6-5-7-30-15)11-20-22-17-9-19(28-3)18(27-2)8-16(17)21(26)23-20/h5-9,14,25H,4,10-13H2,1-3H3,(H,22,23,26)/p+1/t14-/m1/s1