N,N-diethyl-1-(phenylmethyl)pyridin-1-ium-3-carboxamide bromide

Systemtic Name: N,N-diethyl-1-(phenylmethyl)pyridin-1-ium-3-carboxamide bromide Openeye Name: 1-benzyl-N,N-diethyl-pyridin-1-ium-3-carboxamide bromide CAS Name: N,N-diethyl-1-(phenylmethyl)-3-pyridin-1-iumcarboxamide bromide IUPAC Name: 1-benzyl-N,N-diethylpyridin-1-ium-3-carboxamide bromide Traditional Name: 1-benzyl-N,N-diethyl-pyridin-1-ium-3-carboxamide bromide Formula: C17H21BrN2O MolecularWeight: 349.26544

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H21N2O.BrH/c1-3-19(4-2)17(20)16-11-8-12-18(14-16)13-15-9-6-5-7-10-15;/h5-12,14H,3-4,13H2,1-2H3;1H/q+1;/p-1