2-(5-azanyl-3-methyl-isoquinolin-2-ium-2-yl)ethanenitrile bromide

Systemtic Name: 2-(5-azanyl-3-methyl-isoquinolin-2-ium-2-yl)ethanenitrile bromide Openeye Name: 2-(5-amino-3-methyl-isoquinolin-2-ium-2-yl)acetonitrile bromide CAS Name: 2-(5-amino-3-methyl-2-isoquinolin-2-iumyl)acetonitrile bromide IUPAC Name: 2-(5-amino-3-methylisoquinolin-2-ium-2-yl)acetonitrile bromide Traditional Name: 2-(5-amino-3-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=C2C=CC=C(C2=C1)N)CC#N.[Br-]

Isomeric SMILES

CC1=[N+](C=C2C=CC=C(C2=C1)N)CC#N.[Br-]

InChI

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