2-[[4-(3,4-dimethylphenyl)sulfonylpiperazin-1-ium-1-yl]methyl]-6,7-dimethoxy-1H-quinazolin-4-one

Systemtic Name: 2-[[4-(3,4-dimethylphenyl)sulfonylpiperazin-1-ium-1-yl]methyl]-6,7-dimethoxy-1H-quinazolin-4-one Openeye Name: 2-[[4-(3,4-dimethylphenyl)sulfonylpiperazin-1-ium-1-yl]methyl]-6,7-dimethoxy-1H-quinazolin-4-one CAS Name: 2-[[4-(3,4-dimethylphenyl)sulfonyl-1-piperazin-1-iumyl]methyl]-6,7-dimethoxy-1H-quinazolin-4-one IUPAC Name: 2-[[4-(3,4-dimethylphenyl)sulfonylpiperazin-1-ium-1-yl]methyl]-6,7-dimethoxy-1H-quinazolin-4-one Traditional Name: 2-[[4-(3,4-dimethylphenyl)sulfonylpiperazin-1-ium-1-yl]methyl]-6,7-dimethoxy-1H-quinazolin-4-one Formula: C23H29N4O5S+ MolecularWeight: 473.56516

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)S(=O)(=O)N2CC[NH+](CC2)CC3=NC(=O)C4=CC(=C(C=C4N3)OC)OC)C

Isomeric SMILES

CC1=C(C=C(C=C1)S(=O)(=O)N2CC[NH+](CC2)CC3=NC(=O)C4=CC(=C(C=C4N3)OC)OC)C

InChI

InChI=1S/C23H28N4O5S/c1-15-5-6-17(11-16(15)2)33(29,30)27-9-7-26(8-10-27)14-22-24-19-13-21(32-4)20(31-3)12-18(19)23(28)25-22/h5-6,11-13H,7-10,14H2,1-4H3,(H,24,25,28)/p+1