1-[4-[4-(phenylmethyl)piperazin-4-ium-1-yl]sulfonylphenyl]pyrrolidin-2-one

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

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(=O)N(C1)C2=CC=C(C=C2)S(=O)(=O)N3CC[NH+](CC3)CC4=CC=CC=C4

Isomeric SMILES

C1CC(=O)N(C1)C2=CC=C(C=C2)S(=O)(=O)N3CC[NH+](CC3)CC4=CC=CC=C4

InChI

InChI=1S/C21H25N3O3S/c25-21-7-4-12-24(21)19-8-10-20(11-9-19)28(26,27)23-15-13-22(14-16-23)17-18-5-2-1-3-6-18/h1-3,5-6,8-11H,4,7,12-17H2/p+1