(2S,4S)-4-oxidanyl-1-[5-[4-(phenylmethyl)piperidin-1-yl]sulfonylpyridin-1-ium-2-yl]pyrrolidine-2-carboxamide

Systemtic Name: (2S,4S)-4-oxidanyl-1-[5-[4-(phenylmethyl)piperidin-1-yl]sulfonylpyridin-1-ium-2-yl]pyrrolidine-2-carboxamide Openeye Name: (2S,4S)-1-[5-[(4-benzyl-1-piperidyl)sulfonyl]pyridin-1-ium-2-yl]-4-hydroxy-pyrrolidine-2-carboxamide CAS Name: (2S,4S)-4-hydroxy-1-[5-[[4-(phenylmethyl)-1-piperidinyl]sulfonyl]-2-pyridin-1-iumyl]-2-pyrrolidinecarboxamide IUPAC Name: (2S,4S)-1-[5-(4-benzylpiperidin-1-yl)sulfonylpyridin-1-ium-2-yl]-4-hydroxypyrrolidine-2-carboxamide Traditional Name: (2S,4S)-1-[5-(4-benzylpiperidino)sulfonylpyridin-1-ium-2-yl]-4-hydroxy-pyrrolidine-2-carboxamide Formula: C22H29N4O4S+ MolecularWeight: 445.55506

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1CC2=CC=CC=C2)S(=O)(=O)C3=C[NH+]=C(C=C3)N4CC(CC4C(=O)N)O

Isomeric SMILES

C1CN(CCC1CC2=CC=CC=C2)S(=O)(=O)C3=C[NH+]=C(C=C3)N4C[C@H](C[C@H]4C(=O)N)O

InChI

InChI=1S/C22H28N4O4S/c23-22(28)20-13-18(27)15-26(20)21-7-6-19(14-24-21)31(29,30)25-10-8-17(9-11-25)12-16-4-2-1-3-5-16/h1-7,14,17-18,20,27H,8-13,15H2,(H2,23,28)/p+1/t18-,20-/m0/s1