2-ethyl-3-methyl-isoquinolin-2-ium bromide

Systemtic Name: 2-ethyl-3-methyl-isoquinolin-2-ium bromide Openeye Name: 2-ethyl-3-methyl-isoquinolin-2-ium bromide CAS Name: 2-ethyl-3-methylisoquinolin-2-ium bromide IUPAC Name: 2-ethyl-3-methylisoquinolin-2-ium bromide Traditional Name: 2-ethyl-3-methyl-isoquinolin-2-ium bromide Formula: C12H14BrN MolecularWeight: 252.15026

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Descriptors Computed from Structure

Canonical SMILES:

CC[N+]1=CC2=CC=CC=C2C=C1C.[Br-]

Isomeric SMILES

CC[N+]1=CC2=CC=CC=C2C=C1C.[Br-]

InChI

InChI=1S/C12H14N.BrH/c1-3-13-9-12-7-5-4-6-11(12)8-10(13)2;/h4-9H,3H2,1-2H3;1H/q+1;/p-1