1-(4-bromophenyl)carbonyl-N-(2-methyl-2-morpholin-4-ium-4-yl-propyl)piperidine-4-carboxamide

Systemtic Name: 1-(4-bromophenyl)carbonyl-N-(2-methyl-2-morpholin-4-ium-4-yl-propyl)piperidine-4-carboxamide Openeye Name: 1-(4-bromobenzoyl)-N-(2-methyl-2-morpholin-4-ium-4-yl-propyl)piperidine-4-carboxamide CAS Name: 1-[(4-bromophenyl)-oxomethyl]-N-[2-methyl-2-(4-morpholin-4-iumyl)propyl]-4-piperidinecarboxamide IUPAC Name: 1-(4-bromobenzoyl)-N-(2-methyl-2-morpholin-4-ium-4-ylpropyl)piperidine-4-carboxamide Traditional Name: 1-(4-bromobenzoyl)-N-(2-methyl-2-morpholin-4-ium-4-yl-propyl)isonipecotamide Formula: C21H31BrN3O3+ MolecularWeight: 453.39314

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(CNC(=O)C1CCN(CC1)C(=O)C2=CC=C(C=C2)Br)[NH+]3CCOCC3

Isomeric SMILES

CC(C)(CNC(=O)C1CCN(CC1)C(=O)C2=CC=C(C=C2)Br)[NH+]3CCOCC3

InChI

InChI=1S/C21H30BrN3O3/c1-21(2,25-11-13-28-14-12-25)15-23-19(26)16-7-9-24(10-8-16)20(27)17-3-5-18(22)6-4-17/h3-6,16H,7-15H2,1-2H3,(H,23,26)/p+1