ethyl 2-(3-methylisoquinolin-2-ium-2-yl)ethanoate bromide

Systemtic Name: ethyl 2-(3-methylisoquinolin-2-ium-2-yl)ethanoate bromide Openeye Name: ethyl 2-(3-methylisoquinolin-2-ium-2-yl)acetate bromide CAS Name: 2-(3-methyl-2-isoquinolin-2-iumyl)acetic acid ethyl ester bromide IUPAC Name: ethyl 2-(3-methylisoquinolin-2-ium-2-yl)acetate bromide Traditional Name: 2-(3-methylisoquinolin-2-ium-2-yl)acetic acid ethyl ester bromide Formula: C14H16BrNO2 MolecularWeight: 310.18634

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C[N+]1=CC2=CC=CC=C2C=C1C.[Br-]

Isomeric SMILES

CCOC(=O)C[N+]1=CC2=CC=CC=C2C=C1C.[Br-]

InChI

InChI=1S/C14H16NO2.BrH/c1-3-17-14(16)10-15-9-13-7-5-4-6-12(13)8-11(15)2;/h4-9H,3,10H2,1-2H3;1H/q+1;/p-1