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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)Br)NC(=O)C2CC[NH2+]CC2

Isomeric SMILES

CC1=C(C=CC(=C1)Br)NC(=O)C2CC[NH2+]CC2

InChI

InChI=1S/C13H17BrN2O/c1-9-8-11(14)2-3-12(9)16-13(17)10-4-6-15-7-5-10/h2-3,8,10,15H,4-7H2,1H3,(H,16,17)/p+1