[2-methoxy-4-(2-pyridin-1-ium-1-ylpropanoyl)phenyl] ethanoate bromide

Systemtic Name: [2-methoxy-4-(2-pyridin-1-ium-1-ylpropanoyl)phenyl] ethanoate bromide Openeye Name: [2-methoxy-4-(2-pyridin-1-ium-1-ylpropanoyl)phenyl] acetate bromide CAS Name: acetic acid [2-methoxy-4-[1-oxo-2-(1-pyridin-1-iumyl)propyl]phenyl] ester bromide IUPAC Name: [2-methoxy-4-(2-pyridin-1-ium-1-ylpropanoyl)phenyl] acetate bromide Traditional Name: acetic acid [2-methoxy-4-(2-pyridin-1-ium-1-ylpropanoyl)phenyl] ester bromide Formula: C17H18BrNO4 MolecularWeight: 380.23312

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H18NO4.BrH/c1-12(18-9-5-4-6-10-18)17(20)14-7-8-15(22-13(2)19)16(11-14)21-3;/h4-12H,1-3H3;1H/q+1;/p-1