2-(2-chloroethyl)isoquinolin-2-ium-4-carbonitrile

Systemtic Name: 2-(2-chloroethyl)isoquinolin-2-ium-4-carbonitrile Openeye Name: 2-(2-chloroethyl)isoquinolin-2-ium-4-carbonitrile CAS Name: 2-(2-chloroethyl)-4-isoquinolin-2-iumcarbonitrile IUPAC Name: 2-(2-chloroethyl)isoquinolin-2-ium-4-carbonitrile Traditional Name: 2-(2-chloroethyl)isoquinolin-2-ium-4-carbonitrile Formula: C12H10ClN2+ MolecularWeight: 217.6742

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H10ClN2/c13-5-6-15-8-10-3-1-2-4-12(10)11(7-14)9-15/h1-4,8-9H,5-6H2/q+1