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

Systemtic Name: 2-[[4-(3-bromophenyl)sulfonylpiperazin-1-ium-1-yl]methyl]-6-chloranyl-1H-quinazolin-4-one Openeye Name: 2-[[4-(3-bromophenyl)sulfonylpiperazin-1-ium-1-yl]methyl]-6-chloro-1H-quinazolin-4-one CAS Name: 2-[[4-(3-bromophenyl)sulfonyl-1-piperazin-1-iumyl]methyl]-6-chloro-1H-quinazolin-4-one IUPAC Name: 2-[[4-(3-bromophenyl)sulfonylpiperazin-1-ium-1-yl]methyl]-6-chloro-1H-quinazolin-4-one Traditional Name: 2-[[4-(3-bromophenyl)sulfonylpiperazin-1-ium-1-yl]methyl]-6-chloro-1H-quinazolin-4-one Formula: C19H19BrClN4O3S+ MolecularWeight: 498.80116

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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(=CC=C4)Br

Isomeric SMILES

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

InChI

InChI=1S/C19H18BrClN4O3S/c20-13-2-1-3-15(10-13)29(27,28)25-8-6-24(7-9-25)12-18-22-17-5-4-14(21)11-16(17)19(26)23-18/h1-5,10-11H,6-9,12H2,(H,22,23,26)/p+1