N-(3-bromanyl-4-methyl-phenyl)-2-piperidin-1-ium-1-yl-ethanamide

Systemtic Name: N-(3-bromanyl-4-methyl-phenyl)-2-piperidin-1-ium-1-yl-ethanamide Openeye Name: N-(3-bromo-4-methyl-phenyl)-2-piperidin-1-ium-1-yl-acetamide CAS Name: N-(3-bromo-4-methylphenyl)-2-(1-piperidin-1-iumyl)acetamide IUPAC Name: N-(3-bromo-4-methylphenyl)-2-piperidin-1-ium-1-ylacetamide Traditional Name: N-(3-bromo-4-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=C(C=C1)NC(=O)C[NH+]2CCCCC2)Br

Isomeric SMILES

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

InChI

InChI=1S/C14H19BrN2O/c1-11-5-6-12(9-13(11)15)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