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

Systemtic Name: 1-(4-bromophenyl)carbonyl-N-[[4-(piperidin-1-ium-1-ylmethyl)phenyl]methyl]piperidine-4-carboxamide Openeye Name: 1-(4-bromobenzoyl)-N-[[4-(piperidin-1-ium-1-ylmethyl)phenyl]methyl]piperidine-4-carboxamide CAS Name: 1-[(4-bromophenyl)-oxomethyl]-N-[[4-(1-piperidin-1-iumylmethyl)phenyl]methyl]-4-piperidinecarboxamide IUPAC Name: 1-(4-bromobenzoyl)-N-[[4-(piperidin-1-ium-1-ylmethyl)phenyl]methyl]piperidine-4-carboxamide Traditional Name: 1-(4-bromobenzoyl)-N-[4-(piperidin-1-ium-1-ylmethyl)benzyl]isonipecotamide Formula: C26H33BrN3O2+ MolecularWeight: 499.46312

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](CC1)CC2=CC=C(C=C2)CNC(=O)C3CCN(CC3)C(=O)C4=CC=C(C=C4)Br

Isomeric SMILES

C1CC[NH+](CC1)CC2=CC=C(C=C2)CNC(=O)C3CCN(CC3)C(=O)C4=CC=C(C=C4)Br

InChI

InChI=1S/C26H32BrN3O2/c27-24-10-8-23(9-11-24)26(32)30-16-12-22(13-17-30)25(31)28-18-20-4-6-21(7-5-20)19-29-14-2-1-3-15-29/h4-11,22H,1-3,12-19H2,(H,28,31)/p+1