(3S)-N-[[2-(pyrrolidin-1-ium-1-ylmethyl)phenyl]methyl]-1-thiophen-2-ylcarbonyl-piperidine-3-carboxamide

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

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](C1)CC2=CC=CC=C2CNC(=O)C3CCCN(C3)C(=O)C4=CC=CS4

Isomeric SMILES

C1CC[NH+](C1)CC2=CC=CC=C2CNC(=O)[C@H]3CCCN(C3)C(=O)C4=CC=CS4

InChI

InChI=1S/C23H29N3O2S/c27-22(20-9-5-13-26(17-20)23(28)21-10-6-14-29-21)24-15-18-7-1-2-8-19(18)16-25-11-3-4-12-25/h1-2,6-8,10,14,20H,3-5,9,11-13,15-17H2,(H,24,27)/p+1/t20-/m0/s1