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

Systemtic Name: N-[[2-(pyrrolidin-1-ium-1-ylmethyl)phenyl]methyl]-1-thiophen-2-ylcarbonyl-piperidine-4-carboxamide Openeye Name: N-[[2-(pyrrolidin-1-ium-1-ylmethyl)phenyl]methyl]-1-(thiophene-2-carbonyl)piperidine-4-carboxamide CAS Name: 1-[oxo(thiophen-2-yl)methyl]-N-[[2-(1-pyrrolidin-1-iumylmethyl)phenyl]methyl]-4-piperidinecarboxamide IUPAC Name: N-[[2-(pyrrolidin-1-ium-1-ylmethyl)phenyl]methyl]-1-(thiophene-2-carbonyl)piperidine-4-carboxamide Traditional Name: N-[2-(pyrrolidin-1-ium-1-ylmethyl)benzyl]-1-(2-thenoyl)isonipecotamide Formula: C23H30N3O2S+ MolecularWeight: 412.5682

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](C1)CC2=CC=CC=C2CNC(=O)C3CCN(CC3)C(=O)C4=CC=CS4

Isomeric SMILES

C1CC[NH+](C1)CC2=CC=CC=C2CNC(=O)C3CCN(CC3)C(=O)C4=CC=CS4

InChI

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