2-(2-chloroethyl)isoquinolin-2-ium bromide

Systemtic Name: 2-(2-chloroethyl)isoquinolin-2-ium bromide Openeye Name: 2-(2-chloroethyl)isoquinolin-2-ium bromide CAS Name: 2-(2-chloroethyl)isoquinolin-2-ium bromide IUPAC Name: 2-(2-chloroethyl)isoquinolin-2-ium bromide Traditional Name: 2-(2-chloroethyl)isoquinolin-2-ium bromide Formula: C11H11BrClN MolecularWeight: 272.56874

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C11H11ClN.BrH/c12-6-8-13-7-5-10-3-1-2-4-11(10)9-13;/h1-5,7,9H,6,8H2;1H/q+1;/p-1