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

Systemtic Name: 1-(furan-2-ylcarbonyl)-N-[[4-(pyrrolidin-1-ium-1-ylmethyl)phenyl]methyl]piperidine-4-carboxamide Openeye Name: 1-(furan-2-carbonyl)-N-[[4-(pyrrolidin-1-ium-1-ylmethyl)phenyl]methyl]piperidine-4-carboxamide CAS Name: 1-[2-furanyl(oxo)methyl]-N-[[4-(1-pyrrolidin-1-iumylmethyl)phenyl]methyl]-4-piperidinecarboxamide IUPAC Name: 1-(furan-2-carbonyl)-N-[[4-(pyrrolidin-1-ium-1-ylmethyl)phenyl]methyl]piperidine-4-carboxamide Traditional Name: 1-(2-furoyl)-N-[4-(pyrrolidin-1-ium-1-ylmethyl)benzyl]isonipecotamide Formula: C23H30N3O3+ MolecularWeight: 396.5026

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](C1)CC2=CC=C(C=C2)CNC(=O)C3CCN(CC3)C(=O)C4=CC=CO4

Isomeric SMILES

C1CC[NH+](C1)CC2=CC=C(C=C2)CNC(=O)C3CCN(CC3)C(=O)C4=CC=CO4

InChI

InChI=1S/C23H29N3O3/c27-22(20-9-13-26(14-10-20)23(28)21-4-3-15-29-21)24-16-18-5-7-19(8-6-18)17-25-11-1-2-12-25/h3-8,15,20H,1-2,9-14,16-17H2,(H,24,27)/p+1