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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)NC(=O)C2CCC[NH2+]C2)Br

Isomeric SMILES

CC1=C(C=CC(=C1)NC(=O)[C@H]2CCC[NH2+]C2)Br

InChI

InChI=1S/C13H17BrN2O/c1-9-7-11(4-5-12(9)14)16-13(17)10-3-2-6-15-8-10/h4-5,7,10,15H,2-3,6,8H2,1H3,(H,16,17)/p+1/t10-/m0/s1