(2R)-N-[1-(phenylmethyl)piperidin-1-ium-4-yl]-1-thiophen-2-ylcarbonyl-pyrrolidine-2-carboxamide

Systemtic Name: (2R)-N-[1-(phenylmethyl)piperidin-1-ium-4-yl]-1-thiophen-2-ylcarbonyl-pyrrolidine-2-carboxamide Openeye Name: (2R)-N-(1-benzylpiperidin-1-ium-4-yl)-1-(thiophene-2-carbonyl)pyrrolidine-2-carboxamide CAS Name: (2R)-1-[oxo(thiophen-2-yl)methyl]-N-[1-(phenylmethyl)-4-piperidin-1-iumyl]-2-pyrrolidinecarboxamide IUPAC Name: (2R)-N-(1-benzylpiperidin-1-ium-4-yl)-1-(thiophene-2-carbonyl)pyrrolidine-2-carboxamide Traditional Name: (2R)-N-(1-benzylpiperidin-1-ium-4-yl)-1-(2-thenoyl)pyrrolidine-2-carboxamide Formula: C22H28N3O2S+ MolecularWeight: 398.54162

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(N(C1)C(=O)C2=CC=CS2)C(=O)NC3CC[NH+](CC3)CC4=CC=CC=C4

Isomeric SMILES

C1C[C@@H](N(C1)C(=O)C2=CC=CS2)C(=O)NC3CC[NH+](CC3)CC4=CC=CC=C4

InChI

InChI=1S/C22H27N3O2S/c26-21(19-8-4-12-25(19)22(27)20-9-5-15-28-20)23-18-10-13-24(14-11-18)16-17-6-2-1-3-7-17/h1-3,5-7,9,15,18-19H,4,8,10-14,16H2,(H,23,26)/p+1/t19-/m1/s1