2-[(1-phenacylpyridin-1-ium-3-yl)carbonylamino]ethyl ethanoate bromide

Systemtic Name: 2-[(1-phenacylpyridin-1-ium-3-yl)carbonylamino]ethyl ethanoate bromide Openeye Name: 2-[(1-phenacylpyridin-1-ium-3-carbonyl)amino]ethyl acetate bromide CAS Name: acetic acid 2-[[oxo-(1-phenacyl-3-pyridin-1-iumyl)methyl]amino]ethyl ester bromide IUPAC Name: 2-[(1-phenacylpyridin-1-ium-3-carbonyl)amino]ethyl acetate bromide Traditional Name: acetic acid 2-[(1-phenacylpyridin-1-ium-3-carbonyl)amino]ethyl ester bromide Formula: C18H19BrN2O4 MolecularWeight: 407.25846

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H18N2O4.BrH/c1-14(21)24-11-9-19-18(23)16-8-5-10-20(12-16)13-17(22)15-6-3-2-4-7-15;/h2-8,10,12H,9,11,13H2,1H3;1H