N-(2-bromophenyl)-2-[(3R,5R)-3,5-dimethylpiperidin-1-ium-1-yl]ethanamide

Systemtic Name: N-(2-bromophenyl)-2-[(3R,5R)-3,5-dimethylpiperidin-1-ium-1-yl]ethanamide Openeye Name: N-(2-bromophenyl)-2-[(3R,5R)-3,5-dimethylpiperidin-1-ium-1-yl]acetamide CAS Name: N-(2-bromophenyl)-2-[(3R,5R)-3,5-dimethyl-1-piperidin-1-iumyl]acetamide IUPAC Name: N-(2-bromophenyl)-2-[(3R,5R)-3,5-dimethylpiperidin-1-ium-1-yl]acetamide Traditional Name: N-(2-bromophenyl)-2-[(3R,5R)-3,5-dimethylpiperidin-1-ium-1-yl]acetamide Formula: C15H22BrN2O+ MolecularWeight: 326.25198

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC(C[NH+](C1)CC(=O)NC2=CC=CC=C2Br)C

Isomeric SMILES

C[C@@H]1C[C@H](C[NH+](C1)CC(=O)NC2=CC=CC=C2Br)C

InChI

InChI=1S/C15H21BrN2O/c1-11-7-12(2)9-18(8-11)10-15(19)17-14-6-4-3-5-13(14)16/h3-6,11-12H,7-10H2,1-2H3,(H,17,19)/p+1/t11-,12-/m1/s1