2-(oxiran-2-ylmethyl)isoquinolin-2-ium perchlorate

Systemtic Name: 2-(oxiran-2-ylmethyl)isoquinolin-2-ium perchlorate Openeye Name: 2-(oxiran-2-ylmethyl)isoquinolin-2-ium perchlorate CAS Name: 2-(2-oxiranylmethyl)isoquinolin-2-ium perchlorate IUPAC Name: 2-(oxiran-2-ylmethyl)isoquinolin-2-ium perchlorate Traditional Name: 2-glycidylisoquinolin-2-ium perchlorate Formula: C12H12ClNO5 MolecularWeight: 285.68038

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Descriptors Computed from Structure

Canonical SMILES:

C1C(O1)C[N+]2=CC3=CC=CC=C3C=C2.[O-]Cl(=O)(=O)=O

Isomeric SMILES

C1C(O1)C[N+]2=CC3=CC=CC=C3C=C2.[O-]Cl(=O)(=O)=O

InChI

InChI=1S/C12H12NO.ClHO4/c1-2-4-11-7-13(8-12-9-14-12)6-5-10(11)3-1;2-1(3,4)5/h1-7,12H,8-9H2;(H,2,3,4,5)/q+1;/p-1