8-methyl-2-[[4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-ium-1-yl]methyl]-1H-quinazolin-4-one

Systemtic Name: 8-methyl-2-[[4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-ium-1-yl]methyl]-1H-quinazolin-4-one Openeye Name: 8-methyl-2-[[4-(p-tolylsulfonyl)-1,4-diazepan-1-ium-1-yl]methyl]-1H-quinazolin-4-one CAS Name: 8-methyl-2-[[4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-ium-1-yl]methyl]-1H-quinazolin-4-one IUPAC Name: 8-methyl-2-[[4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-ium-1-yl]methyl]-1H-quinazolin-4-one Traditional Name: 8-methyl-2-[(4-tosyl-1,4-diazepan-1-ium-1-yl)methyl]-1H-quinazolin-4-one Formula: C22H27N4O3S+ MolecularWeight: 427.53978

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CCC[NH+](CC2)CC3=NC(=O)C4=C(N3)C(=CC=C4)C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CCC[NH+](CC2)CC3=NC(=O)C4=C(N3)C(=CC=C4)C

InChI

InChI=1S/C22H26N4O3S/c1-16-7-9-18(10-8-16)30(28,29)26-12-4-11-25(13-14-26)15-20-23-21-17(2)5-3-6-19(21)22(27)24-20/h3,5-10H,4,11-15H2,1-2H3,(H,23,24,27)/p+1