2-[[4-(4-tert-butylphenyl)sulfonylpiperazin-1-ium-1-yl]methyl]-6,7-dimethoxy-1H-quinazolin-4-one

Systemtic Name: 2-[[4-(4-tert-butylphenyl)sulfonylpiperazin-1-ium-1-yl]methyl]-6,7-dimethoxy-1H-quinazolin-4-one Openeye Name: 2-[[4-(4-tert-butylphenyl)sulfonylpiperazin-1-ium-1-yl]methyl]-6,7-dimethoxy-1H-quinazolin-4-one CAS Name: 2-[[4-(4-tert-butylphenyl)sulfonyl-1-piperazin-1-iumyl]methyl]-6,7-dimethoxy-1H-quinazolin-4-one IUPAC Name: 2-[[4-(4-tert-butylphenyl)sulfonylpiperazin-1-ium-1-yl]methyl]-6,7-dimethoxy-1H-quinazolin-4-one Traditional Name: 2-[[4-(4-tert-butylphenyl)sulfonylpiperazin-1-ium-1-yl]methyl]-6,7-dimethoxy-1H-quinazolin-4-one Formula: C25H33N4O5S+ MolecularWeight: 501.61832

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)S(=O)(=O)N2CC[NH+](CC2)CC3=NC(=O)C4=CC(=C(C=C4N3)OC)OC

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)S(=O)(=O)N2CC[NH+](CC2)CC3=NC(=O)C4=CC(=C(C=C4N3)OC)OC

InChI

InChI=1S/C25H32N4O5S/c1-25(2,3)17-6-8-18(9-7-17)35(31,32)29-12-10-28(11-13-29)16-23-26-20-15-22(34-5)21(33-4)14-19(20)24(30)27-23/h6-9,14-15H,10-13,16H2,1-5H3,(H,26,27,30)/p+1