(3S)-N-[(2R)-2-phenyl-2-pyrrolidin-1-ium-1-yl-ethyl]-1-thiophen-2-ylcarbonyl-piperidine-3-carboxamide

Systemtic Name: (3S)-N-[(2R)-2-phenyl-2-pyrrolidin-1-ium-1-yl-ethyl]-1-thiophen-2-ylcarbonyl-piperidine-3-carboxamide Openeye Name: (3S)-N-[(2R)-2-phenyl-2-pyrrolidin-1-ium-1-yl-ethyl]-1-(thiophene-2-carbonyl)piperidine-3-carboxamide CAS Name: (3S)-1-[oxo(thiophen-2-yl)methyl]-N-[(2R)-2-phenyl-2-(1-pyrrolidin-1-iumyl)ethyl]-3-piperidinecarboxamide IUPAC Name: (3S)-N-[(2R)-2-phenyl-2-pyrrolidin-1-ium-1-ylethyl]-1-(thiophene-2-carbonyl)piperidine-3-carboxamide Traditional Name: (3S)-N-[(2R)-2-phenyl-2-pyrrolidin-1-ium-1-yl-ethyl]-1-(2-thenoyl)nipecotamide Formula: C23H30N3O2S+ MolecularWeight: 412.5682

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](C1)C(CNC(=O)C2CCCN(C2)C(=O)C3=CC=CS3)C4=CC=CC=C4

Isomeric SMILES

C1CC[NH+](C1)[C@@H](CNC(=O)[C@H]2CCCN(C2)C(=O)C3=CC=CS3)C4=CC=CC=C4

InChI

InChI=1S/C23H29N3O2S/c27-22(19-10-6-14-26(17-19)23(28)21-11-7-15-29-21)24-16-20(25-12-4-5-13-25)18-8-2-1-3-9-18/h1-3,7-9,11,15,19-20H,4-6,10,12-14,16-17H2,(H,24,27)/p+1/t19-,20-/m0/s1