6-[2-(2-acetamidophenyl)ethyl]-N,N-diethyl-1-methyl-pyridin-1-ium-3-carboxamide iodide

Systemtic Name: 6-[2-(2-acetamidophenyl)ethyl]-N,N-diethyl-1-methyl-pyridin-1-ium-3-carboxamide iodide Openeye Name: 6-[2-(2-acetamidophenyl)ethyl]-N,N-diethyl-1-methyl-pyridin-1-ium-3-carboxamide iodide CAS Name: 6-[2-(2-acetamidophenyl)ethyl]-N,N-diethyl-1-methyl-3-pyridin-1-iumcarboxamide iodide IUPAC Name: 6-[2-(2-acetamidophenyl)ethyl]-N,N-diethyl-1-methylpyridin-1-ium-3-carboxamide iodide Traditional Name: 6-[2-(2-acetamidophenyl)ethyl]-N,N-diethyl-1-methyl-pyridin-1-ium-3-carboxamide iodide Formula: C21H28IN3O2 MolecularWeight: 481.37039

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C(=O)C1=C[N+](=C(C=C1)CCC2=CC=CC=C2NC(=O)C)C.[I-]

Isomeric SMILES

CCN(CC)C(=O)C1=C[N+](=C(C=C1)CCC2=CC=CC=C2NC(=O)C)C.[I-]

InChI

InChI=1S/C21H27N3O2.HI/c1-5-24(6-2)21(26)18-12-14-19(23(4)15-18)13-11-17-9-7-8-10-20(17)22-16(3)25;/h7-10,12,14-15H,5-6,11,13H2,1-4H3;1H