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

Systemtic Name: 1-(4-bromophenyl)carbonyl-N-[[2-(pyrrolidin-1-ium-1-ylmethyl)phenyl]methyl]piperidine-4-carboxamide Openeye Name: 1-(4-bromobenzoyl)-N-[[2-(pyrrolidin-1-ium-1-ylmethyl)phenyl]methyl]piperidine-4-carboxamide CAS Name: 1-[(4-bromophenyl)-oxomethyl]-N-[[2-(1-pyrrolidin-1-iumylmethyl)phenyl]methyl]-4-piperidinecarboxamide IUPAC Name: 1-(4-bromobenzoyl)-N-[[2-(pyrrolidin-1-ium-1-ylmethyl)phenyl]methyl]piperidine-4-carboxamide Traditional Name: 1-(4-bromobenzoyl)-N-[2-(pyrrolidin-1-ium-1-ylmethyl)benzyl]isonipecotamide Formula: C25H31BrN3O2+ MolecularWeight: 485.43654

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H30BrN3O2/c26-23-9-7-20(8-10-23)25(31)29-15-11-19(12-16-29)24(30)27-17-21-5-1-2-6-22(21)18-28-13-3-4-14-28/h1-2,5-10,19H,3-4,11-18H2,(H,27,30)/p+1