2-(phenylmethyl)isoquinolin-2-ium perchlorate

Systemtic Name: 2-(phenylmethyl)isoquinolin-2-ium perchlorate Openeye Name: 2-benzylisoquinolin-2-ium perchlorate CAS Name: 2-(phenylmethyl)isoquinolin-2-ium perchlorate IUPAC Name: 2-benzylisoquinolin-2-ium perchlorate Traditional Name: 2-benzylisoquinolin-2-ium perchlorate Formula: C16H14ClNO4 MolecularWeight: 319.73966

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C[N+]2=CC3=CC=CC=C3C=C2.[O-]Cl(=O)(=O)=O

Isomeric SMILES

C1=CC=C(C=C1)C[N+]2=CC3=CC=CC=C3C=C2.[O-]Cl(=O)(=O)=O

InChI

InChI=1S/C16H14N.ClHO4/c1-2-6-14(7-3-1)12-17-11-10-15-8-4-5-9-16(15)13-17;2-1(3,4)5/h1-11,13H,12H2;(H,2,3,4,5)/q+1;/p-1