isoquinolin-2-ium-2-yl N,N-dimethylcarbamate

Systemtic Name: isoquinolin-2-ium-2-yl N,N-dimethylcarbamate Openeye Name: isoquinolin-2-ium-2-yl N,N-dimethylcarbamate CAS Name: N,N-dimethylcarbamic acid 2-isoquinolin-2-iumyl ester IUPAC Name: isoquinolin-2-ium-2-yl N,N-dimethylcarbamate Traditional Name: N,N-dimethylcarbamic acid isoquinolin-2-ium-2-yl ester Formula: C12H13N2O2+ MolecularWeight: 217.24382

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN(C)C(=O)O[N+]1=CC2=CC=CC=C2C=C1

Isomeric SMILES

CN(C)C(=O)O[N+]1=CC2=CC=CC=C2C=C1

InChI

InChI=1S/C12H13N2O2/c1-13(2)12(15)16-14-8-7-10-5-3-4-6-11(10)9-14/h3-9H,1-2H3/q+1