1-(4-bromophenyl)carbonyl-N-(2,2,6,6-tetramethylpiperidin-1-ium-4-yl)piperidine-4-carboxamide

Systemtic Name: 1-(4-bromophenyl)carbonyl-N-(2,2,6,6-tetramethylpiperidin-1-ium-4-yl)piperidine-4-carboxamide Openeye Name: 1-(4-bromobenzoyl)-N-(2,2,6,6-tetramethylpiperidin-1-ium-4-yl)piperidine-4-carboxamide CAS Name: 1-[(4-bromophenyl)-oxomethyl]-N-(2,2,6,6-tetramethyl-4-piperidin-1-iumyl)-4-piperidinecarboxamide IUPAC Name: 1-(4-bromobenzoyl)-N-(2,2,6,6-tetramethylpiperidin-1-ium-4-yl)piperidine-4-carboxamide Traditional Name: 1-(4-bromobenzoyl)-N-(2,2,6,6-tetramethylpiperidin-1-ium-4-yl)isonipecotamide Formula: C22H33BrN3O2+ MolecularWeight: 451.42032

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1(CC(CC([NH2+]1)(C)C)NC(=O)C2CCN(CC2)C(=O)C3=CC=C(C=C3)Br)C

Isomeric SMILES

CC1(CC(CC([NH2+]1)(C)C)NC(=O)C2CCN(CC2)C(=O)C3=CC=C(C=C3)Br)C

InChI

InChI=1S/C22H32BrN3O2/c1-21(2)13-18(14-22(3,4)25-21)24-19(27)15-9-11-26(12-10-15)20(28)16-5-7-17(23)8-6-16/h5-8,15,18,25H,9-14H2,1-4H3,(H,24,27)/p+1