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

Systemtic Name: 2-(2-chloroethyl)isoquinolin-2-ium-4-carbonitrile chloride Openeye Name: 2-(2-chloroethyl)isoquinolin-2-ium-4-carbonitrile chloride CAS Name: 2-(2-chloroethyl)-4-isoquinolin-2-iumcarbonitrile chloride IUPAC Name: 2-(2-chloroethyl)isoquinolin-2-ium-4-carbonitrile chloride Traditional Name: 2-(2-chloroethyl)isoquinolin-2-ium-4-carbonitrile chloride Formula: C12H10Cl2N2 MolecularWeight: 253.1272

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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