2-methyl-1-phenoxy-isoquinolin-2-ium perchlorate

Systemtic Name: 2-methyl-1-phenoxy-isoquinolin-2-ium perchlorate Openeye Name: 2-methyl-1-phenoxy-isoquinolin-2-ium perchlorate CAS Name: 2-methyl-1-phenoxyisoquinolin-2-ium perchlorate IUPAC Name: 2-methyl-1-phenoxyisoquinolin-2-ium perchlorate Traditional Name: 2-methyl-1-phenoxy-isoquinolin-2-ium perchlorate Formula: C16H14ClNO5 MolecularWeight: 335.73906

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1=C(C2=CC=CC=C2C=C1)OC3=CC=CC=C3.[O-]Cl(=O)(=O)=O

Isomeric SMILES

C[N+]1=C(C2=CC=CC=C2C=C1)OC3=CC=CC=C3.[O-]Cl(=O)(=O)=O

InChI

InChI=1S/C16H14NO.ClHO4/c1-17-12-11-13-7-5-6-10-15(13)16(17)18-14-8-3-2-4-9-14;2-1(3,4)5/h2-12H,1H3;(H,2,3,4,5)/q+1;/p-1