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

Systemtic Name: N-(4-bromanyl-2-methyl-phenyl)-2-piperidin-1-ium-1-yl-ethanamide Openeye Name: N-(4-bromo-2-methyl-phenyl)-2-piperidin-1-ium-1-yl-acetamide CAS Name: N-(4-bromo-2-methylphenyl)-2-(1-piperidin-1-iumyl)acetamide IUPAC Name: N-(4-bromo-2-methylphenyl)-2-piperidin-1-ium-1-ylacetamide Traditional Name: N-(4-bromo-2-methyl-phenyl)-2-piperidin-1-ium-1-yl-acetamide Formula: C14H20BrN2O+ MolecularWeight: 312.2254

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)Br)NC(=O)C[NH+]2CCCCC2

Isomeric SMILES

CC1=C(C=CC(=C1)Br)NC(=O)C[NH+]2CCCCC2

InChI

InChI=1S/C14H19BrN2O/c1-11-9-12(15)5-6-13(11)16-14(18)10-17-7-3-2-4-8-17/h5-6,9H,2-4,7-8,10H2,1H3,(H,16,18)/p+1