1-(4-bromophenyl)carbonyl-N-[(2R)-3-methyl-2-morpholin-4-ium-4-yl-butyl]piperidine-4-carboxamide

Systemtic Name: 1-(4-bromophenyl)carbonyl-N-[(2R)-3-methyl-2-morpholin-4-ium-4-yl-butyl]piperidine-4-carboxamide Openeye Name: 1-(4-bromobenzoyl)-N-[(2R)-3-methyl-2-morpholin-4-ium-4-yl-butyl]piperidine-4-carboxamide CAS Name: 1-[(4-bromophenyl)-oxomethyl]-N-[(2R)-3-methyl-2-(4-morpholin-4-iumyl)butyl]-4-piperidinecarboxamide IUPAC Name: 1-(4-bromobenzoyl)-N-[(2R)-3-methyl-2-morpholin-4-ium-4-ylbutyl]piperidine-4-carboxamide Traditional Name: 1-(4-bromobenzoyl)-N-[(2R)-3-methyl-2-morpholin-4-ium-4-yl-butyl]isonipecotamide Formula: C22H33BrN3O3+ MolecularWeight: 467.41972

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H32BrN3O3/c1-16(2)20(25-11-13-29-14-12-25)15-24-21(27)17-7-9-26(10-8-17)22(28)18-3-5-19(23)6-4-18/h3-6,16-17,20H,7-15H2,1-2H3,(H,24,27)/p+1/t20-/m0/s1