[4-(4-azanyl-7-methoxy-6-oxidanyl-quinazolin-3-ium-2-yl)piperazin-1-yl]-[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]methanone

Systemtic Name: [4-(4-azanyl-7-methoxy-6-oxidanyl-quinazolin-3-ium-2-yl)piperazin-1-yl]-[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]methanone Openeye Name: [4-(4-amino-6-hydroxy-7-methoxy-quinazolin-3-ium-2-yl)piperazin-1-yl]-[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]methanone CAS Name: [4-(4-amino-6-hydroxy-7-methoxy-2-quinazolin-3-iumyl)-1-piperazinyl]-[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]methanone IUPAC Name: [4-(4-amino-6-hydroxy-7-methoxyquinazolin-3-ium-2-yl)piperazin-1-yl]-[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]methanone Traditional Name: [4-(4-amino-6-hydroxy-7-methoxy-quinazolin-3-ium-2-yl)piperazino]-[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]methanone Formula: C22H24N5O5+ MolecularWeight: 438.45646

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(=C1)N=C([NH+]=C2N)N3CCN(CC3)C(=O)C4COC5=CC=CC=C5O4)O

Isomeric SMILES

COC1=C(C=C2C(=C1)N=C([NH+]=C2N)N3CCN(CC3)C(=O)[C@H]4COC5=CC=CC=C5O4)O

InChI

InChI=1S/C22H23N5O5/c1-30-18-11-14-13(10-15(18)28)20(23)25-22(24-14)27-8-6-26(7-9-27)21(29)19-12-31-16-4-2-3-5-17(16)32-19/h2-5,10-11,19,28H,6-9,12H2,1H3,(H2,23,24,25)/p+1/t19-/m1/s1