2-methyl-6-(2-phenoxyethoxy)isoquinolin-2-ium bromide

Systemtic Name: 2-methyl-6-(2-phenoxyethoxy)isoquinolin-2-ium bromide Openeye Name: 2-methyl-6-(2-phenoxyethoxy)isoquinolin-2-ium bromide CAS Name: 2-methyl-6-(2-phenoxyethoxy)isoquinolin-2-ium bromide IUPAC Name: 2-methyl-6-(2-phenoxyethoxy)isoquinolin-2-ium bromide Traditional Name: 2-methyl-6-(2-phenoxyethoxy)isoquinolin-2-ium bromide Formula: C18H18BrNO2 MolecularWeight: 360.24502

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1=CC2=C(C=C1)C=C(C=C2)OCCOC3=CC=CC=C3.[Br-]

Isomeric SMILES

C[N+]1=CC2=C(C=C1)C=C(C=C2)OCCOC3=CC=CC=C3.[Br-]

InChI

InChI=1S/C18H18NO2.BrH/c1-19-10-9-15-13-18(8-7-16(15)14-19)21-12-11-20-17-5-3-2-4-6-17;/h2-10,13-14H,11-12H2,1H3;1H/q+1;/p-1