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

Systemtic Name: (3S)-N-[(2R)-2-(2-chlorophenyl)-2-pyrrolidin-1-ium-1-yl-ethyl]-1-thiophen-2-ylcarbonyl-piperidine-3-carboxamide Openeye Name: (3S)-N-[(2R)-2-(2-chlorophenyl)-2-pyrrolidin-1-ium-1-yl-ethyl]-1-(thiophene-2-carbonyl)piperidine-3-carboxamide CAS Name: (3S)-N-[(2R)-2-(2-chlorophenyl)-2-(1-pyrrolidin-1-iumyl)ethyl]-1-[oxo(thiophen-2-yl)methyl]-3-piperidinecarboxamide IUPAC Name: (3S)-N-[(2R)-2-(2-chlorophenyl)-2-pyrrolidin-1-ium-1-ylethyl]-1-(thiophene-2-carbonyl)piperidine-3-carboxamide Traditional Name: (3S)-N-[(2R)-2-(2-chlorophenyl)-2-pyrrolidin-1-ium-1-yl-ethyl]-1-(2-thenoyl)nipecotamide Formula: C23H29ClN3O2S+ MolecularWeight: 447.01326

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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=C4Cl

Isomeric SMILES

C1CC[NH+](C1)[C@@H](CNC(=O)[C@H]2CCCN(C2)C(=O)C3=CC=CS3)C4=CC=CC=C4Cl

InChI

InChI=1S/C23H28ClN3O2S/c24-19-9-2-1-8-18(19)20(26-11-3-4-12-26)15-25-22(28)17-7-5-13-27(16-17)23(29)21-10-6-14-30-21/h1-2,6,8-10,14,17,20H,3-5,7,11-13,15-16H2,(H,25,28)/p+1/t17-,20-/m0/s1