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

Systemtic Name: (3S)-3-[4-(1-methylsulfonylpiperidin-4-yl)piperidin-1-ium-1-yl]-1-phenethyl-pyrrolidine-2,5-dione Openeye Name: (3S)-3-[4-(1-methylsulfonyl-4-piperidyl)piperidin-1-ium-1-yl]-1-phenethyl-pyrrolidine-2,5-dione CAS Name: (3S)-3-[4-(1-methylsulfonyl-4-piperidinyl)-1-piperidin-1-iumyl]-1-phenethylpyrrolidine-2,5-dione IUPAC Name: (3S)-3-[4-(1-methylsulfonylpiperidin-4-yl)piperidin-1-ium-1-yl]-1-phenethylpyrrolidine-2,5-dione Traditional Name: (3S)-3-[4-(1-mesyl-4-piperidyl)piperidin-1-ium-1-yl]-1-phenethyl-pyrrolidine-2,5-quinone Formula: C23H34N3O4S+ MolecularWeight: 448.59876

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)N1CCC(CC1)C2CC[NH+](CC2)C3CC(=O)N(C3=O)CCC4=CC=CC=C4

Isomeric SMILES

CS(=O)(=O)N1CCC(CC1)C2CC[NH+](CC2)[C@H]3CC(=O)N(C3=O)CCC4=CC=CC=C4

InChI

InChI=1S/C23H33N3O4S/c1-31(29,30)25-14-10-20(11-15-25)19-8-12-24(13-9-19)21-17-22(27)26(23(21)28)16-7-18-5-3-2-4-6-18/h2-6,19-21H,7-17H2,1H3/p+1/t21-/m0/s1