N-(4-bromanyl-2-methyl-phenyl)-2-[(3R,5R)-3,5-dimethylpiperidin-1-ium-1-yl]ethanamide

Systemtic Name: N-(4-bromanyl-2-methyl-phenyl)-2-[(3R,5R)-3,5-dimethylpiperidin-1-ium-1-yl]ethanamide Openeye Name: N-(4-bromo-2-methyl-phenyl)-2-[(3R,5R)-3,5-dimethylpiperidin-1-ium-1-yl]acetamide CAS Name: N-(4-bromo-2-methylphenyl)-2-[(3R,5R)-3,5-dimethyl-1-piperidin-1-iumyl]acetamide IUPAC Name: N-(4-bromo-2-methylphenyl)-2-[(3R,5R)-3,5-dimethylpiperidin-1-ium-1-yl]acetamide Traditional Name: N-(4-bromo-2-methyl-phenyl)-2-[(3R,5R)-3,5-dimethylpiperidin-1-ium-1-yl]acetamide Formula: C16H24BrN2O+ MolecularWeight: 340.27856

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC(C[NH+](C1)CC(=O)NC2=C(C=C(C=C2)Br)C)C

Isomeric SMILES

C[C@@H]1C[C@H](C[NH+](C1)CC(=O)NC2=C(C=C(C=C2)Br)C)C

InChI

InChI=1S/C16H23BrN2O/c1-11-6-12(2)9-19(8-11)10-16(20)18-15-5-4-14(17)7-13(15)3/h4-5,7,11-12H,6,8-10H2,1-3H3,(H,18,20)/p+1/t11-,12-/m1/s1