(3R)-3-[4-(3,4-dimethylphenyl)sulfonylpiperazin-1-ium-1-yl]-1-phenethyl-pyrrolidine-2,5-dione

Systemtic Name: (3R)-3-[4-(3,4-dimethylphenyl)sulfonylpiperazin-1-ium-1-yl]-1-phenethyl-pyrrolidine-2,5-dione Openeye Name: (3R)-3-[4-(3,4-dimethylphenyl)sulfonylpiperazin-1-ium-1-yl]-1-phenethyl-pyrrolidine-2,5-dione CAS Name: (3R)-3-[4-(3,4-dimethylphenyl)sulfonyl-1-piperazin-1-iumyl]-1-phenethylpyrrolidine-2,5-dione IUPAC Name: (3R)-3-[4-(3,4-dimethylphenyl)sulfonylpiperazin-1-ium-1-yl]-1-phenethylpyrrolidine-2,5-dione Traditional Name: (3R)-3-[4-(3,4-dimethylphenyl)sulfonylpiperazin-1-ium-1-yl]-1-phenethyl-pyrrolidine-2,5-quinone Formula: C24H30N3O4S+ MolecularWeight: 456.5777

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)S(=O)(=O)N2CC[NH+](CC2)C3CC(=O)N(C3=O)CCC4=CC=CC=C4)C

Isomeric SMILES

CC1=C(C=C(C=C1)S(=O)(=O)N2CC[NH+](CC2)[C@@H]3CC(=O)N(C3=O)CCC4=CC=CC=C4)C

InChI

InChI=1S/C24H29N3O4S/c1-18-8-9-21(16-19(18)2)32(30,31)26-14-12-25(13-15-26)22-17-23(28)27(24(22)29)11-10-20-6-4-3-5-7-20/h3-9,16,22H,10-15,17H2,1-2H3/p+1/t22-/m1/s1