2-(5-azanyl-8-methoxy-isoquinolin-2-ium-2-yl)ethanenitrile bromide

Systemtic Name: 2-(5-azanyl-8-methoxy-isoquinolin-2-ium-2-yl)ethanenitrile bromide Openeye Name: 2-(5-amino-8-methoxy-isoquinolin-2-ium-2-yl)acetonitrile bromide CAS Name: 2-(5-amino-8-methoxy-2-isoquinolin-2-iumyl)acetonitrile bromide IUPAC Name: 2-(5-amino-8-methoxyisoquinolin-2-ium-2-yl)acetonitrile bromide Traditional Name: 2-(5-amino-8-methoxy-isoquinolin-2-ium-2-yl)acetonitrile bromide Formula: C12H12BrN3O MolecularWeight: 294.14718

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C2C=[N+](C=CC2=C(C=C1)N)CC#N.[Br-]

Isomeric SMILES

COC1=C2C=[N+](C=CC2=C(C=C1)N)CC#N.[Br-]

InChI

InChI=1S/C12H12N3O.BrH/c1-16-12-3-2-11(14)9-4-6-15(7-5-13)8-10(9)12;/h2-4,6,8H,7,14H2,1H3;1H/q+1;/p-1