sodium 4-isoquinolin-1-yl-2-methyl-4-oxidanylidene-butanenitrile

Systemtic Name: sodium 4-isoquinolin-1-yl-2-methyl-4-oxidanylidene-butanenitrile Openeye Name: sodium 4-(1-isoquinolyl)-2-methyl-4-oxo-butanenitrile CAS Name: sodium 4-(1-isoquinolinyl)-2-methyl-4-oxobutanenitrile IUPAC Name: sodium 4-isoquinolin-1-yl-2-methyl-4-oxobutanenitrile Traditional Name: sodium 4-(1-isoquinolyl)-4-keto-2-methyl-butyronitrile Formula: C14H11N2NaO MolecularWeight: 246.23971

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC([CH-]C(=O)C1=NC=CC2=CC=CC=C21)C#N.[Na+]

Isomeric SMILES

CC([CH-]C(=O)C1=NC=CC2=CC=CC=C21)C#N.[Na+]

InChI

InChI=1S/C14H11N2O.Na/c1-10(9-15)8-13(17)14-12-5-3-2-4-11(12)6-7-16-14;/h2-8,10H,1H3;/q-1;+1