2-(phenylcarbonyloxy)ethyl 1-phenacylpyridin-1-ium-3-carboxylate bromide

Systemtic Name: 2-(phenylcarbonyloxy)ethyl 1-phenacylpyridin-1-ium-3-carboxylate bromide Openeye Name: 2-benzoyloxyethyl 1-phenacylpyridin-1-ium-3-carboxylate bromide CAS Name: 1-phenacyl-3-pyridin-1-iumcarboxylic acid 2-benzoyloxyethyl ester bromide IUPAC Name: 2-benzoyloxyethyl 1-phenacylpyridin-1-ium-3-carboxylate bromide Traditional Name: 1-phenacylpyridin-1-ium-3-carboxylic acid 2-benzoyloxyethyl ester bromide Formula: C23H20BrNO5 MolecularWeight: 470.3126

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(=O)C[N+]2=CC=CC(=C2)C(=O)OCCOC(=O)C3=CC=CC=C3.[Br-]

Isomeric SMILES

C1=CC=C(C=C1)C(=O)C[N+]2=CC=CC(=C2)C(=O)OCCOC(=O)C3=CC=CC=C3.[Br-]

InChI

InChI=1S/C23H20NO5.BrH/c25-21(18-8-3-1-4-9-18)17-24-13-7-12-20(16-24)23(27)29-15-14-28-22(26)19-10-5-2-6-11-19;/h1-13,16H,14-15,17H2;1H/q+1;/p-1