2-[2-(4-chloranylphenoxy)ethyl]-6,7-dimethoxy-isoquinolin-2-ium chloride

Systemtic Name: 2-[2-(4-chloranylphenoxy)ethyl]-6,7-dimethoxy-isoquinolin-2-ium chloride Openeye Name: 2-[2-(4-chlorophenoxy)ethyl]-6,7-dimethoxy-isoquinolin-2-ium chloride CAS Name: 2-[2-(4-chlorophenoxy)ethyl]-6,7-dimethoxyisoquinolin-2-ium chloride IUPAC Name: 2-[2-(4-chlorophenoxy)ethyl]-6,7-dimethoxyisoquinolin-2-ium chloride Traditional Name: 2-[2-(4-chlorophenoxy)ethyl]-6,7-dimethoxy-isoquinolin-2-ium chloride Formula: C19H19Cl2NO3 MolecularWeight: 380.26506

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C=[N+](C=CC2=C1)CCOC3=CC=C(C=C3)Cl)OC.[Cl-]

Isomeric SMILES

COC1=C(C=C2C=[N+](C=CC2=C1)CCOC3=CC=C(C=C3)Cl)OC.[Cl-]

InChI

InChI=1S/C19H19ClNO3.ClH/c1-22-18-11-14-7-8-21(13-15(14)12-19(18)23-2)9-10-24-17-5-3-16(20)4-6-17;/h3-8,11-13H,9-10H2,1-2H3;1H/q+1;/p-1