6-chloranyl-2-[[4-(3-chloranyl-4-fluoranyl-phenyl)sulfonylpiperazin-1-ium-1-yl]methyl]-1H-quinazolin-4-one

Systemtic Name: 6-chloranyl-2-[[4-(3-chloranyl-4-fluoranyl-phenyl)sulfonylpiperazin-1-ium-1-yl]methyl]-1H-quinazolin-4-one Openeye Name: 6-chloro-2-[[4-(3-chloro-4-fluoro-phenyl)sulfonylpiperazin-1-ium-1-yl]methyl]-1H-quinazolin-4-one CAS Name: 6-chloro-2-[[4-(3-chloro-4-fluorophenyl)sulfonyl-1-piperazin-1-iumyl]methyl]-1H-quinazolin-4-one IUPAC Name: 6-chloro-2-[[4-(3-chloro-4-fluorophenyl)sulfonylpiperazin-1-ium-1-yl]methyl]-1H-quinazolin-4-one Traditional Name: 6-chloro-2-[[4-(3-chloro-4-fluoro-phenyl)sulfonylpiperazin-1-ium-1-yl]methyl]-1H-quinazolin-4-one Formula: C19H18Cl2FN4O3S+ MolecularWeight: 472.340623

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=NC(=O)C3=C(N2)C=CC(=C3)Cl)S(=O)(=O)C4=CC(=C(C=C4)F)Cl

Isomeric SMILES

C1CN(CC[NH+]1CC2=NC(=O)C3=C(N2)C=CC(=C3)Cl)S(=O)(=O)C4=CC(=C(C=C4)F)Cl

InChI

InChI=1S/C19H17Cl2FN4O3S/c20-12-1-4-17-14(9-12)19(27)24-18(23-17)11-25-5-7-26(8-6-25)30(28,29)13-2-3-16(22)15(21)10-13/h1-4,9-10H,5-8,11H2,(H,23,24,27)/p+1