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

Systemtic Name: 1-(furan-2-ylcarbonyl)-N-[(2S)-2-(furan-2-yl)-2-pyrrolidin-1-ium-1-yl-ethyl]piperidine-4-carboxamide Openeye Name: 1-(furan-2-carbonyl)-N-[(2S)-2-(2-furyl)-2-pyrrolidin-1-ium-1-yl-ethyl]piperidine-4-carboxamide CAS Name: 1-[2-furanyl(oxo)methyl]-N-[(2S)-2-(2-furanyl)-2-(1-pyrrolidin-1-iumyl)ethyl]-4-piperidinecarboxamide IUPAC Name: 1-(furan-2-carbonyl)-N-[(2S)-2-(furan-2-yl)-2-pyrrolidin-1-ium-1-ylethyl]piperidine-4-carboxamide Traditional Name: 1-(2-furoyl)-N-[(2S)-2-(2-furyl)-2-pyrrolidin-1-ium-1-yl-ethyl]isonipecotamide Formula: C21H28N3O4+ MolecularWeight: 386.46472

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](C1)C(CNC(=O)C2CCN(CC2)C(=O)C3=CC=CO3)C4=CC=CO4

Isomeric SMILES

C1CC[NH+](C1)[C@@H](CNC(=O)C2CCN(CC2)C(=O)C3=CC=CO3)C4=CC=CO4

InChI

InChI=1S/C21H27N3O4/c25-20(16-7-11-24(12-8-16)21(26)19-6-4-14-28-19)22-15-17(18-5-3-13-27-18)23-9-1-2-10-23/h3-6,13-14,16-17H,1-2,7-12,15H2,(H,22,25)/p+1/t17-/m0/s1