N-[(2S)-2-(furan-2-yl)-2-pyrrolidin-1-ium-1-yl-ethyl]-1-thiophen-3-ylcarbonyl-piperidine-4-carboxamide

Systemtic Name: N-[(2S)-2-(furan-2-yl)-2-pyrrolidin-1-ium-1-yl-ethyl]-1-thiophen-3-ylcarbonyl-piperidine-4-carboxamide Openeye Name: N-[(2S)-2-(2-furyl)-2-pyrrolidin-1-ium-1-yl-ethyl]-1-(thiophene-3-carbonyl)piperidine-4-carboxamide CAS Name: N-[(2S)-2-(2-furanyl)-2-(1-pyrrolidin-1-iumyl)ethyl]-1-[oxo(3-thiophenyl)methyl]-4-piperidinecarboxamide IUPAC Name: N-[(2S)-2-(furan-2-yl)-2-pyrrolidin-1-ium-1-ylethyl]-1-(thiophene-3-carbonyl)piperidine-4-carboxamide Traditional Name: N-[(2S)-2-(2-furyl)-2-pyrrolidin-1-ium-1-yl-ethyl]-1-(3-thenoyl)isonipecotamide Formula: C21H28N3O3S+ MolecularWeight: 402.53032

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](C1)C(CNC(=O)C2CCN(CC2)C(=O)C3=CSC=C3)C4=CC=CO4

Isomeric SMILES

C1CC[NH+](C1)[C@@H](CNC(=O)C2CCN(CC2)C(=O)C3=CSC=C3)C4=CC=CO4

InChI

InChI=1S/C21H27N3O3S/c25-20(16-5-10-24(11-6-16)21(26)17-7-13-28-15-17)22-14-18(19-4-3-12-27-19)23-8-1-2-9-23/h3-4,7,12-13,15-16,18H,1-2,5-6,8-11,14H2,(H,22,25)/p+1/t18-/m0/s1