(2R)-N-[[2-[4-(pyrrolidin-1-ium-1-ylmethyl)phenyl]phenyl]methyl]-1-thiophen-2-ylcarbonyl-piperidine-2-carboxamide

Systemtic Name: (2R)-N-[[2-[4-(pyrrolidin-1-ium-1-ylmethyl)phenyl]phenyl]methyl]-1-thiophen-2-ylcarbonyl-piperidine-2-carboxamide Openeye Name: (2R)-N-[[2-[4-(pyrrolidin-1-ium-1-ylmethyl)phenyl]phenyl]methyl]-1-(thiophene-2-carbonyl)piperidine-2-carboxamide CAS Name: (2R)-1-[oxo(thiophen-2-yl)methyl]-N-[[2-[4-(1-pyrrolidin-1-iumylmethyl)phenyl]phenyl]methyl]-2-piperidinecarboxamide IUPAC Name: (2R)-N-[[2-[4-(pyrrolidin-1-ium-1-ylmethyl)phenyl]phenyl]methyl]-1-(thiophene-2-carbonyl)piperidine-2-carboxamide Traditional Name: (2R)-N-[2-[4-(pyrrolidin-1-ium-1-ylmethyl)phenyl]benzyl]-1-(2-thenoyl)pipecolinamide Formula: C29H34N3O2S+ MolecularWeight: 488.66416

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C(C1)C(=O)NCC2=CC=CC=C2C3=CC=C(C=C3)C[NH+]4CCCC4)C(=O)C5=CC=CS5

Isomeric SMILES

C1CCN([C@H](C1)C(=O)NCC2=CC=CC=C2C3=CC=C(C=C3)C[NH+]4CCCC4)C(=O)C5=CC=CS5

InChI

InChI=1S/C29H33N3O2S/c33-28(26-10-3-4-18-32(26)29(34)27-11-7-19-35-27)30-20-24-8-1-2-9-25(24)23-14-12-22(13-15-23)21-31-16-5-6-17-31/h1-2,7-9,11-15,19,26H,3-6,10,16-18,20-21H2,(H,30,33)/p+1/t26-/m1/s1