2-[[4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)piperazin-1-ium-1-yl]methyl]-6,7-dimethoxy-1H-quinazolin-4-one

Systemtic Name: 2-[[4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)piperazin-1-ium-1-yl]methyl]-6,7-dimethoxy-1H-quinazolin-4-one Openeye Name: 2-[[4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)piperazin-1-ium-1-yl]methyl]-6,7-dimethoxy-1H-quinazolin-4-one CAS Name: 2-[[4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-1-piperazin-1-iumyl]methyl]-6,7-dimethoxy-1H-quinazolin-4-one IUPAC Name: 2-[[4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)piperazin-1-ium-1-yl]methyl]-6,7-dimethoxy-1H-quinazolin-4-one Traditional Name: 2-[[4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)piperazin-1-ium-1-yl]methyl]-6,7-dimethoxy-1H-quinazolin-4-one Formula: C23H27N4O7S+ MolecularWeight: 503.54808

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(=C1)C(=O)N=C(N2)C[NH+]3CCN(CC3)S(=O)(=O)C4=CC5=C(C=C4)OCCO5)OC

Isomeric SMILES

COC1=C(C=C2C(=C1)C(=O)N=C(N2)C[NH+]3CCN(CC3)S(=O)(=O)C4=CC5=C(C=C4)OCCO5)OC

InChI

InChI=1S/C23H26N4O7S/c1-31-19-12-16-17(13-20(19)32-2)24-22(25-23(16)28)14-26-5-7-27(8-6-26)35(29,30)15-3-4-18-21(11-15)34-10-9-33-18/h3-4,11-13H,5-10,14H2,1-2H3,(H,24,25,28)/p+1