(3S)-1-cyclopropyl-3-[4-(phenylmethyl)sulfonylpiperazin-1-ium-1-yl]pyrrolidine-2,5-dione

Systemtic Name: (3S)-1-cyclopropyl-3-[4-(phenylmethyl)sulfonylpiperazin-1-ium-1-yl]pyrrolidine-2,5-dione Openeye Name: (3S)-3-(4-benzylsulfonylpiperazin-1-ium-1-yl)-1-cyclopropyl-pyrrolidine-2,5-dione CAS Name: (3S)-1-cyclopropyl-3-[4-(phenylmethyl)sulfonyl-1-piperazin-1-iumyl]pyrrolidine-2,5-dione IUPAC Name: (3S)-3-(4-benzylsulfonylpiperazin-1-ium-1-yl)-1-cyclopropylpyrrolidine-2,5-dione Traditional Name: (3S)-3-(4-benzylsulfonylpiperazin-1-ium-1-yl)-1-cyclopropyl-pyrrolidine-2,5-quinone Formula: C18H24N3O4S+ MolecularWeight: 378.46586

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1N2C(=O)CC(C2=O)[NH+]3CCN(CC3)S(=O)(=O)CC4=CC=CC=C4

Isomeric SMILES

C1CC1N2C(=O)C[C@@H](C2=O)[NH+]3CCN(CC3)S(=O)(=O)CC4=CC=CC=C4

InChI

InChI=1S/C18H23N3O4S/c22-17-12-16(18(23)21(17)15-6-7-15)19-8-10-20(11-9-19)26(24,25)13-14-4-2-1-3-5-14/h1-5,15-16H,6-13H2/p+1/t16-/m0/s1