1-[4-[(2S)-4-methyl-2-phenyl-piperazin-4-ium-1-yl]sulfonylphenyl]pyrrolidin-2-one

Systemtic Name: 1-[4-[(2S)-4-methyl-2-phenyl-piperazin-4-ium-1-yl]sulfonylphenyl]pyrrolidin-2-one Openeye Name: 1-[4-[(2S)-4-methyl-2-phenyl-piperazin-4-ium-1-yl]sulfonylphenyl]pyrrolidin-2-one CAS Name: 1-[4-[[(2S)-4-methyl-2-phenyl-1-piperazin-4-iumyl]sulfonyl]phenyl]-2-pyrrolidinone IUPAC Name: 1-[4-[(2S)-4-methyl-2-phenylpiperazin-4-ium-1-yl]sulfonylphenyl]pyrrolidin-2-one Traditional Name: 1-[4-[(2S)-4-methyl-2-phenyl-piperazin-4-ium-1-yl]sulfonylphenyl]-2-pyrrolidone Formula: C21H26N3O3S+ MolecularWeight: 400.51444

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(C(C1)C2=CC=CC=C2)S(=O)(=O)C3=CC=C(C=C3)N4CCCC4=O

Isomeric SMILES

C[NH+]1CCN([C@H](C1)C2=CC=CC=C2)S(=O)(=O)C3=CC=C(C=C3)N4CCCC4=O

InChI

InChI=1S/C21H25N3O3S/c1-22-14-15-24(20(16-22)17-6-3-2-4-7-17)28(26,27)19-11-9-18(10-12-19)23-13-5-8-21(23)25/h2-4,6-7,9-12,20H,5,8,13-16H2,1H3/p+1/t20-/m1/s1