(2S)-1-(4-fluorophenyl)sulfonyl-N-[1-(phenylmethyl)piperidin-1-ium-4-yl]pyrrolidine-2-carboxamide

Systemtic Name: (2S)-1-(4-fluorophenyl)sulfonyl-N-[1-(phenylmethyl)piperidin-1-ium-4-yl]pyrrolidine-2-carboxamide Openeye Name: (2S)-N-(1-benzylpiperidin-1-ium-4-yl)-1-(4-fluorophenyl)sulfonyl-pyrrolidine-2-carboxamide CAS Name: (2S)-1-(4-fluorophenyl)sulfonyl-N-[1-(phenylmethyl)-4-piperidin-1-iumyl]-2-pyrrolidinecarboxamide IUPAC Name: (2S)-N-(1-benzylpiperidin-1-ium-4-yl)-1-(4-fluorophenyl)sulfonylpyrrolidine-2-carboxamide Traditional Name: (2S)-N-(1-benzylpiperidin-1-ium-4-yl)-1-(4-fluorophenyl)sulfonyl-pyrrolidine-2-carboxamide Formula: C23H29FN3O3S+ MolecularWeight: 446.558063

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(N(C1)S(=O)(=O)C2=CC=C(C=C2)F)C(=O)NC3CC[NH+](CC3)CC4=CC=CC=C4

Isomeric SMILES

C1C[C@H](N(C1)S(=O)(=O)C2=CC=C(C=C2)F)C(=O)NC3CC[NH+](CC3)CC4=CC=CC=C4

InChI

InChI=1S/C23H28FN3O3S/c24-19-8-10-21(11-9-19)31(29,30)27-14-4-7-22(27)23(28)25-20-12-15-26(16-13-20)17-18-5-2-1-3-6-18/h1-3,5-6,8-11,20,22H,4,7,12-17H2,(H,25,28)/p+1/t22-/m0/s1