2-[(1S)-1-[4-(4-bromanyl-3-methyl-phenyl)sulfonylpiperazin-1-ium-1-yl]ethyl]-1H-quinazolin-4-one

Systemtic Name: 2-[(1S)-1-[4-(4-bromanyl-3-methyl-phenyl)sulfonylpiperazin-1-ium-1-yl]ethyl]-1H-quinazolin-4-one Openeye Name: 2-[(1S)-1-[4-(4-bromo-3-methyl-phenyl)sulfonylpiperazin-1-ium-1-yl]ethyl]-1H-quinazolin-4-one CAS Name: 2-[(1S)-1-[4-(4-bromo-3-methylphenyl)sulfonyl-1-piperazin-1-iumyl]ethyl]-1H-quinazolin-4-one IUPAC Name: 2-[(1S)-1-[4-(4-bromo-3-methylphenyl)sulfonylpiperazin-1-ium-1-yl]ethyl]-1H-quinazolin-4-one Traditional Name: 2-[(1S)-1-[4-(4-bromo-3-methyl-phenyl)sulfonylpiperazin-1-ium-1-yl]ethyl]-1H-quinazolin-4-one Formula: C21H24BrN4O3S+ MolecularWeight: 492.40926

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)S(=O)(=O)N2CC[NH+](CC2)C(C)C3=NC(=O)C4=CC=CC=C4N3)Br

Isomeric SMILES

CC1=C(C=CC(=C1)S(=O)(=O)N2CC[NH+](CC2)[C@@H](C)C3=NC(=O)C4=CC=CC=C4N3)Br

InChI

InChI=1S/C21H23BrN4O3S/c1-14-13-16(7-8-18(14)22)30(28,29)26-11-9-25(10-12-26)15(2)20-23-19-6-4-3-5-17(19)21(27)24-20/h3-8,13,15H,9-12H2,1-2H3,(H,23,24,27)/p+1/t15-/m0/s1