2-[(1R)-1-[4-(4-methylphenyl)sulfonylpiperazin-1-ium-1-yl]ethyl]-1H-quinazolin-4-one

Systemtic Name: 2-[(1R)-1-[4-(4-methylphenyl)sulfonylpiperazin-1-ium-1-yl]ethyl]-1H-quinazolin-4-one Openeye Name: 2-[(1R)-1-[4-(p-tolylsulfonyl)piperazin-1-ium-1-yl]ethyl]-1H-quinazolin-4-one CAS Name: 2-[(1R)-1-[4-(4-methylphenyl)sulfonyl-1-piperazin-1-iumyl]ethyl]-1H-quinazolin-4-one IUPAC Name: 2-[(1R)-1-[4-(4-methylphenyl)sulfonylpiperazin-1-ium-1-yl]ethyl]-1H-quinazolin-4-one Traditional Name: 2-[(1R)-1-(4-tosylpiperazin-1-ium-1-yl)ethyl]-1H-quinazolin-4-one Formula: C21H25N4O3S+ MolecularWeight: 413.5132

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H24N4O3S/c1-15-7-9-17(10-8-15)29(27,28)25-13-11-24(12-14-25)16(2)20-22-19-6-4-3-5-18(19)21(26)23-20/h3-10,16H,11-14H2,1-2H3,(H,22,23,26)/p+1/t16-/m1/s1