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

Systemtic Name: 6-chloranyl-2-[[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-ium-1-yl]methyl]-1H-quinazolin-4-one Openeye Name: 6-chloro-2-[[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-ium-1-yl]methyl]-1H-quinazolin-4-one CAS Name: 6-chloro-2-[[4-(2,4-dimethylphenyl)sulfonyl-1-piperazin-1-iumyl]methyl]-1H-quinazolin-4-one IUPAC Name: 6-chloro-2-[[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-ium-1-yl]methyl]-1H-quinazolin-4-one Traditional Name: 6-chloro-2-[[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-ium-1-yl]methyl]-1H-quinazolin-4-one Formula: C21H24ClN4O3S+ MolecularWeight: 447.95826

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)S(=O)(=O)N2CC[NH+](CC2)CC3=NC(=O)C4=C(N3)C=CC(=C4)Cl)C

Isomeric SMILES

CC1=CC(=C(C=C1)S(=O)(=O)N2CC[NH+](CC2)CC3=NC(=O)C4=C(N3)C=CC(=C4)Cl)C

InChI

InChI=1S/C21H23ClN4O3S/c1-14-3-6-19(15(2)11-14)30(28,29)26-9-7-25(8-10-26)13-20-23-18-5-4-16(22)12-17(18)21(27)24-20/h3-6,11-12H,7-10,13H2,1-2H3,(H,23,24,27)/p+1