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

Systemtic Name: (3S)-3-[4-(1-methylsulfonylpiperidin-4-yl)piperidin-1-ium-1-yl]-1-(phenylmethyl)pyrrolidine-2,5-dione Openeye Name: (3S)-1-benzyl-3-[4-(1-methylsulfonyl-4-piperidyl)piperidin-1-ium-1-yl]pyrrolidine-2,5-dione CAS Name: (3S)-3-[4-(1-methylsulfonyl-4-piperidinyl)-1-piperidin-1-iumyl]-1-(phenylmethyl)pyrrolidine-2,5-dione IUPAC Name: (3S)-1-benzyl-3-[4-(1-methylsulfonylpiperidin-4-yl)piperidin-1-ium-1-yl]pyrrolidine-2,5-dione Traditional Name: (3S)-1-benzyl-3-[4-(1-mesyl-4-piperidyl)piperidin-1-ium-1-yl]pyrrolidine-2,5-quinone Formula: C22H32N3O4S+ MolecularWeight: 434.57218

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)N1CCC(CC1)C2CC[NH+](CC2)C3CC(=O)N(C3=O)CC4=CC=CC=C4

Isomeric SMILES

CS(=O)(=O)N1CCC(CC1)C2CC[NH+](CC2)[C@H]3CC(=O)N(C3=O)CC4=CC=CC=C4

InChI

InChI=1S/C22H31N3O4S/c1-30(28,29)24-13-9-19(10-14-24)18-7-11-23(12-8-18)20-15-21(26)25(22(20)27)16-17-5-3-2-4-6-17/h2-6,18-20H,7-16H2,1H3/p+1/t20-/m0/s1