(2-ethyl-1,2,3,4-tetrahydroisoquinolin-2-ium-5-yl) ethanoate bromide

Systemtic Name: (2-ethyl-1,2,3,4-tetrahydroisoquinolin-2-ium-5-yl) ethanoate bromide Openeye Name: (2-ethyl-1,2,3,4-tetrahydroisoquinolin-2-ium-5-yl) acetate bromide CAS Name: acetic acid (2-ethyl-1,2,3,4-tetrahydroisoquinolin-2-ium-5-yl) ester bromide IUPAC Name: (2-ethyl-1,2,3,4-tetrahydroisoquinolin-2-ium-5-yl) acetate bromide Traditional Name: acetic acid (2-ethyl-1,2,3,4-tetrahydroisoquinolin-2-ium-5-yl) ester bromide Formula: C13H18BrNO2 MolecularWeight: 300.19152

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+]1CCC2=C(C1)C=CC=C2OC(=O)C.[Br-]

Isomeric SMILES

CC[NH+]1CCC2=C(C1)C=CC=C2OC(=O)C.[Br-]

InChI

InChI=1S/C13H17NO2.BrH/c1-3-14-8-7-12-11(9-14)5-4-6-13(12)16-10(2)15;/h4-6H,3,7-9H2,1-2H3;1H