2-prop-2-ynylisoquinolin-2-ium perchlorate

Systemtic Name: 2-prop-2-ynylisoquinolin-2-ium perchlorate Openeye Name: 2-prop-2-ynylisoquinolin-2-ium perchlorate CAS Name: 2-prop-2-ynylisoquinolin-2-ium perchlorate IUPAC Name: 2-prop-2-ynylisoquinolin-2-ium perchlorate Traditional Name: 2-propargylisoquinolin-2-ium perchlorate Formula: C12H10ClNO4 MolecularWeight: 267.6651

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H10N.ClHO4/c1-2-8-13-9-7-11-5-3-4-6-12(11)10-13;2-1(3,4)5/h1,3-7,9-10H,8H2;(H,2,3,4,5)/q+1;/p-1