2-(5-azanyl-1-methyl-isoquinolin-2-ium-2-yl)ethanenitrile bromide

Systemtic Name: 2-(5-azanyl-1-methyl-isoquinolin-2-ium-2-yl)ethanenitrile bromide Openeye Name: 2-(5-amino-1-methyl-isoquinolin-2-ium-2-yl)acetonitrile bromide CAS Name: 2-(5-amino-1-methyl-2-isoquinolin-2-iumyl)acetonitrile bromide IUPAC Name: 2-(5-amino-1-methylisoquinolin-2-ium-2-yl)acetonitrile bromide Traditional Name: 2-(5-amino-1-methyl-isoquinolin-2-ium-2-yl)acetonitrile bromide Formula: C12H12BrN3 MolecularWeight: 278.14778

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Descriptors Computed from Structure

Canonical SMILES:

CC1=[N+](C=CC2=C1C=CC=C2N)CC#N.[Br-]

Isomeric SMILES

CC1=[N+](C=CC2=C1C=CC=C2N)CC#N.[Br-]

InChI

InChI=1S/C12H12N3.BrH/c1-9-10-3-2-4-12(14)11(10)5-7-15(9)8-6-13;/h2-5,7H,8,14H2,1H3;1H/q+1;/p-1