(2R)-N-(4-bromanyl-3-methyl-phenyl)piperidin-1-ium-2-carboxamide

Systemtic Name: (2R)-N-(4-bromanyl-3-methyl-phenyl)piperidin-1-ium-2-carboxamide Openeye Name: (2R)-N-(4-bromo-3-methyl-phenyl)piperidin-1-ium-2-carboxamide CAS Name: (2R)-N-(4-bromo-3-methylphenyl)-2-piperidin-1-iumcarboxamide IUPAC Name: (2R)-N-(4-bromo-3-methylphenyl)piperidin-1-ium-2-carboxamide Traditional Name: (2R)-N-(4-bromo-3-methyl-phenyl)piperidin-1-ium-2-carboxamide Formula: C13H18BrN2O+ MolecularWeight: 298.19882

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)NC(=O)C2CCCC[NH2+]2)Br

Isomeric SMILES

CC1=C(C=CC(=C1)NC(=O)[C@H]2CCCC[NH2+]2)Br

InChI

InChI=1S/C13H17BrN2O/c1-9-8-10(5-6-11(9)14)16-13(17)12-4-2-3-7-15-12/h5-6,8,12,15H,2-4,7H2,1H3,(H,16,17)/p+1/t12-/m1/s1