2-[(1S)-1-[4-(2,4,6-trimethylphenyl)sulfonylpiperazin-1-ium-1-yl]ethyl]-1H-quinazolin-4-one

Systemtic Name: 2-[(1S)-1-[4-(2,4,6-trimethylphenyl)sulfonylpiperazin-1-ium-1-yl]ethyl]-1H-quinazolin-4-one Openeye Name: 2-[(1S)-1-[4-(2,4,6-trimethylphenyl)sulfonylpiperazin-1-ium-1-yl]ethyl]-1H-quinazolin-4-one CAS Name: 2-[(1S)-1-[4-(2,4,6-trimethylphenyl)sulfonyl-1-piperazin-1-iumyl]ethyl]-1H-quinazolin-4-one IUPAC Name: 2-[(1S)-1-[4-(2,4,6-trimethylphenyl)sulfonylpiperazin-1-ium-1-yl]ethyl]-1H-quinazolin-4-one Traditional Name: 2-[(1S)-1-(4-mesitylsulfonylpiperazin-1-ium-1-yl)ethyl]-1H-quinazolin-4-one Formula: C23H29N4O3S+ MolecularWeight: 441.56636

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H28N4O3S/c1-15-13-16(2)21(17(3)14-15)31(29,30)27-11-9-26(10-12-27)18(4)22-24-20-8-6-5-7-19(20)23(28)25-22/h5-8,13-14,18H,9-12H2,1-4H3,(H,24,25,28)/p+1/t18-/m0/s1