7-chloranyl-2-[[4-(4-propan-2-ylphenyl)sulfonylpiperazin-1-ium-1-yl]methyl]-1H-quinazolin-4-one

Systemtic Name: 7-chloranyl-2-[[4-(4-propan-2-ylphenyl)sulfonylpiperazin-1-ium-1-yl]methyl]-1H-quinazolin-4-one Openeye Name: 7-chloro-2-[[4-(4-isopropylphenyl)sulfonylpiperazin-1-ium-1-yl]methyl]-1H-quinazolin-4-one CAS Name: 7-chloro-2-[[4-(4-propan-2-ylphenyl)sulfonyl-1-piperazin-1-iumyl]methyl]-1H-quinazolin-4-one IUPAC Name: 7-chloro-2-[[4-(4-propan-2-ylphenyl)sulfonylpiperazin-1-ium-1-yl]methyl]-1H-quinazolin-4-one Traditional Name: 7-chloro-2-[(4-p-cumenylsulfonylpiperazin-1-ium-1-yl)methyl]-1H-quinazolin-4-one Formula: C22H26ClN4O3S+ MolecularWeight: 461.98484

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H25ClN4O3S/c1-15(2)16-3-6-18(7-4-16)31(29,30)27-11-9-26(10-12-27)14-21-24-20-13-17(23)5-8-19(20)22(28)25-21/h3-8,13,15H,9-12,14H2,1-2H3,(H,24,25,28)/p+1