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

Systemtic Name: 1-(4-bromophenyl)carbonyl-N-[(2S)-2-(furan-2-yl)-2-pyrrolidin-1-ium-1-yl-ethyl]piperidine-4-carboxamide Openeye Name: 1-(4-bromobenzoyl)-N-[(2S)-2-(2-furyl)-2-pyrrolidin-1-ium-1-yl-ethyl]piperidine-4-carboxamide CAS Name: 1-[(4-bromophenyl)-oxomethyl]-N-[(2S)-2-(2-furanyl)-2-(1-pyrrolidin-1-iumyl)ethyl]-4-piperidinecarboxamide IUPAC Name: 1-(4-bromobenzoyl)-N-[(2S)-2-(furan-2-yl)-2-pyrrolidin-1-ium-1-ylethyl]piperidine-4-carboxamide Traditional Name: 1-(4-bromobenzoyl)-N-[(2S)-2-(2-furyl)-2-pyrrolidin-1-ium-1-yl-ethyl]isonipecotamide Formula: C23H29BrN3O3+ MolecularWeight: 475.39866

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H28BrN3O3/c24-19-7-5-18(6-8-19)23(29)27-13-9-17(10-14-27)22(28)25-16-20(21-4-3-15-30-21)26-11-1-2-12-26/h3-8,15,17,20H,1-2,9-14,16H2,(H,25,28)/p+1/t20-/m0/s1