N,N-dimethylisoquinolin-2-ium-2-carboxamide perchlorate

Systemtic Name: N,N-dimethylisoquinolin-2-ium-2-carboxamide perchlorate Openeye Name: N,N-dimethylisoquinolin-2-ium-2-carboxamide perchlorate CAS Name: N,N-dimethyl-2-isoquinolin-2-iumcarboxamide perchlorate IUPAC Name: N,N-dimethylisoquinolin-2-ium-2-carboxamide perchlorate Traditional Name: N,N-dimethylisoquinolin-2-ium-2-carboxamide perchlorate Formula: C12H13ClN2O5 MolecularWeight: 300.69502

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H13N2O.ClHO4/c1-13(2)12(15)14-8-7-10-5-3-4-6-11(10)9-14;2-1(3,4)5/h3-9H,1-2H3;(H,2,3,4,5)/q+1;/p-1