6,7-dimethoxy-2-[[4-(phenylsulfonyl)piperazin-1-ium-1-yl]methyl]-1H-quinazolin-4-one

Systemtic Name: 6,7-dimethoxy-2-[[4-(phenylsulfonyl)piperazin-1-ium-1-yl]methyl]-1H-quinazolin-4-one Openeye Name: 2-[[4-(benzenesulfonyl)piperazin-1-ium-1-yl]methyl]-6,7-dimethoxy-1H-quinazolin-4-one CAS Name: 2-[[4-(benzenesulfonyl)-1-piperazin-1-iumyl]methyl]-6,7-dimethoxy-1H-quinazolin-4-one IUPAC Name: 2-[[4-(benzenesulfonyl)piperazin-1-ium-1-yl]methyl]-6,7-dimethoxy-1H-quinazolin-4-one Traditional Name: 2-[(4-besylpiperazin-1-ium-1-yl)methyl]-6,7-dimethoxy-1H-quinazolin-4-one Formula: C21H25N4O5S+ MolecularWeight: 445.512

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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=CC=CC=C4)OC

Isomeric SMILES

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

InChI

InChI=1S/C21H24N4O5S/c1-29-18-12-16-17(13-19(18)30-2)22-20(23-21(16)26)14-24-8-10-25(11-9-24)31(27,28)15-6-4-3-5-7-15/h3-7,12-13H,8-11,14H2,1-2H3,(H,22,23,26)/p+1