1-[(3-chlorophenyl)methyl]-N,N-diethyl-pyridin-1-ium-3-carboxamide bromide

Systemtic Name: 1-[(3-chlorophenyl)methyl]-N,N-diethyl-pyridin-1-ium-3-carboxamide bromide Openeye Name: 1-[(3-chlorophenyl)methyl]-N,N-diethyl-pyridin-1-ium-3-carboxamide bromide CAS Name: 1-[(3-chlorophenyl)methyl]-N,N-diethyl-3-pyridin-1-iumcarboxamide bromide IUPAC Name: 1-[(3-chlorophenyl)methyl]-N,N-diethylpyridin-1-ium-3-carboxamide bromide Traditional Name: 1-(3-chlorobenzyl)-N,N-diethyl-pyridin-1-ium-3-carboxamide bromide Formula: C17H20BrClN2O MolecularWeight: 383.7105

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C(=O)C1=C[N+](=CC=C1)CC2=CC(=CC=C2)Cl.[Br-]

Isomeric SMILES

CCN(CC)C(=O)C1=C[N+](=CC=C1)CC2=CC(=CC=C2)Cl.[Br-]

InChI

InChI=1S/C17H20ClN2O.BrH/c1-3-20(4-2)17(21)15-8-6-10-19(13-15)12-14-7-5-9-16(18)11-14;/h5-11,13H,3-4,12H2,1-2H3;1H/q+1;/p-1