2-[[4-(2,1,3-benzothiadiazol-4-ylsulfonyl)piperazin-1-ium-1-yl]methyl]-1H-quinazolin-4-one

Systemtic Name: 2-[[4-(2,1,3-benzothiadiazol-4-ylsulfonyl)piperazin-1-ium-1-yl]methyl]-1H-quinazolin-4-one Openeye Name: 2-[[4-(2,1,3-benzothiadiazol-4-ylsulfonyl)piperazin-1-ium-1-yl]methyl]-1H-quinazolin-4-one CAS Name: 2-[[4-(2,1,3-benzothiadiazol-4-ylsulfonyl)-1-piperazin-1-iumyl]methyl]-1H-quinazolin-4-one IUPAC Name: 2-[[4-(2,1,3-benzothiadiazol-4-ylsulfonyl)piperazin-1-ium-1-yl]methyl]-1H-quinazolin-4-one Traditional Name: 2-[(4-piazthiol-4-ylsulfonylpiperazin-1-ium-1-yl)methyl]-1H-quinazolin-4-one Formula: C19H19N6O3S2+ MolecularWeight: 443.52256

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=NC(=O)C3=CC=CC=C3N2)S(=O)(=O)C4=CC=CC5=NSN=C54

Isomeric SMILES

C1CN(CC[NH+]1CC2=NC(=O)C3=CC=CC=C3N2)S(=O)(=O)C4=CC=CC5=NSN=C54

InChI

InChI=1S/C19H18N6O3S2/c26-19-13-4-1-2-5-14(13)20-17(21-19)12-24-8-10-25(11-9-24)30(27,28)16-7-3-6-15-18(16)23-29-22-15/h1-7H,8-12H2,(H,20,21,26)/p+1