N1-phenyl-N4-[(2R)-2-pyrrolidin-1-ium-1-yl-2-thiophen-2-yl-ethyl]piperidine-1,4-dicarboxamide

Systemtic Name: N1-phenyl-N4-[(2R)-2-pyrrolidin-1-ium-1-yl-2-thiophen-2-yl-ethyl]piperidine-1,4-dicarboxamide Openeye Name: N1-phenyl-N4-[(2R)-2-pyrrolidin-1-ium-1-yl-2-(2-thienyl)ethyl]piperidine-1,4-dicarboxamide CAS Name: N1-phenyl-N4-[(2R)-2-(1-pyrrolidin-1-iumyl)-2-thiophen-2-ylethyl]piperidine-1,4-dicarboxamide IUPAC Name: 1-N-phenyl-4-N-[(2R)-2-pyrrolidin-1-ium-1-yl-2-thiophen-2-ylethyl]piperidine-1,4-dicarboxamide Traditional Name: N-phenyl-N'-[(2R)-2-pyrrolidin-1-ium-1-yl-2-(2-thienyl)ethyl]piperidine-1,4-dicarboxamide Formula: C23H31N4O2S+ MolecularWeight: 427.58284

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](C1)C(CNC(=O)C2CCN(CC2)C(=O)NC3=CC=CC=C3)C4=CC=CS4

Isomeric SMILES

C1CC[NH+](C1)[C@H](CNC(=O)C2CCN(CC2)C(=O)NC3=CC=CC=C3)C4=CC=CS4

InChI

InChI=1S/C23H30N4O2S/c28-22(24-17-20(21-9-6-16-30-21)26-12-4-5-13-26)18-10-14-27(15-11-18)23(29)25-19-7-2-1-3-8-19/h1-3,6-9,16,18,20H,4-5,10-15,17H2,(H,24,28)(H,25,29)/p+1/t20-/m1/s1