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

Systemtic Name: N-(3-bromanyl-4-methyl-phenyl)-2-pyrrolidin-1-ium-1-yl-ethanamide Openeye Name: N-(3-bromo-4-methyl-phenyl)-2-pyrrolidin-1-ium-1-yl-acetamide CAS Name: N-(3-bromo-4-methylphenyl)-2-(1-pyrrolidin-1-iumyl)acetamide IUPAC Name: N-(3-bromo-4-methylphenyl)-2-pyrrolidin-1-ium-1-ylacetamide Traditional Name: N-(3-bromo-4-methyl-phenyl)-2-pyrrolidin-1-ium-1-yl-acetamide Formula: C13H18BrN2O+ MolecularWeight: 298.19882

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=O)C[NH+]2CCCC2)Br

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=O)C[NH+]2CCCC2)Br

InChI

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