[1-(phenylmethyl)pyridin-1-ium-3-yl] N,N-diethylcarbamate bromide

Systemtic Name: [1-(phenylmethyl)pyridin-1-ium-3-yl] N,N-diethylcarbamate bromide Openeye Name: (1-benzylpyridin-1-ium-3-yl) N,N-diethylcarbamate bromide CAS Name: N,N-diethylcarbamic acid [1-(phenylmethyl)-3-pyridin-1-iumyl] ester bromide IUPAC Name: (1-benzylpyridin-1-ium-3-yl) N,N-diethylcarbamate bromide Traditional Name: N,N-diethylcarbamic acid (1-benzylpyridin-1-ium-3-yl) ester bromide Formula: C17H21BrN2O2 MolecularWeight: 365.26484

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C(=O)OC1=C[N+](=CC=C1)CC2=CC=CC=C2.[Br-]

Isomeric SMILES

CCN(CC)C(=O)OC1=C[N+](=CC=C1)CC2=CC=CC=C2.[Br-]

InChI

InChI=1S/C17H21N2O2.BrH/c1-3-19(4-2)17(20)21-16-11-8-12-18(14-16)13-15-9-6-5-7-10-15;/h5-12,14H,3-4,13H2,1-2H3;1H/q+1;/p-1