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

Systemtic Name: 2-[[4-(4-fluorophenyl)sulfonyl-1,4-diazepan-1-ium-1-yl]methyl]-8-methyl-1H-quinazolin-4-one Openeye Name: 2-[[4-(4-fluorophenyl)sulfonyl-1,4-diazepan-1-ium-1-yl]methyl]-8-methyl-1H-quinazolin-4-one CAS Name: 2-[[4-(4-fluorophenyl)sulfonyl-1,4-diazepan-1-ium-1-yl]methyl]-8-methyl-1H-quinazolin-4-one IUPAC Name: 2-[[4-(4-fluorophenyl)sulfonyl-1,4-diazepan-1-ium-1-yl]methyl]-8-methyl-1H-quinazolin-4-one Traditional Name: 2-[[4-(4-fluorophenyl)sulfonyl-1,4-diazepan-1-ium-1-yl]methyl]-8-methyl-1H-quinazolin-4-one Formula: C21H24FN4O3S+ MolecularWeight: 431.503663

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC2=C1NC(=NC2=O)C[NH+]3CCCN(CC3)S(=O)(=O)C4=CC=C(C=C4)F

Isomeric SMILES

CC1=CC=CC2=C1NC(=NC2=O)C[NH+]3CCCN(CC3)S(=O)(=O)C4=CC=C(C=C4)F

InChI

InChI=1S/C21H23FN4O3S/c1-15-4-2-5-18-20(15)23-19(24-21(18)27)14-25-10-3-11-26(13-12-25)30(28,29)17-8-6-16(22)7-9-17/h2,4-9H,3,10-14H2,1H3,(H,23,24,27)/p+1