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

Systemtic Name: 2-(5-azanyl-3-methyl-isoquinolin-2-ium-2-yl)ethanenitrile Openeye Name: 2-(5-amino-3-methyl-isoquinolin-2-ium-2-yl)acetonitrile CAS Name: 2-(5-amino-3-methyl-2-isoquinolin-2-iumyl)acetonitrile IUPAC Name: 2-(5-amino-3-methylisoquinolin-2-ium-2-yl)acetonitrile Traditional Name: 2-(5-amino-3-methyl-isoquinolin-2-ium-2-yl)acetonitrile Formula: C12H12N3+ MolecularWeight: 198.24378

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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