4-[(4-chlorophenyl)methyl]-1-ethyl-6,7-dimethoxy-isoquinolin-2-ium bromide

Systemtic Name: 4-[(4-chlorophenyl)methyl]-1-ethyl-6,7-dimethoxy-isoquinolin-2-ium bromide Openeye Name: 4-[(4-chlorophenyl)methyl]-1-ethyl-6,7-dimethoxy-isoquinolin-2-ium bromide CAS Name: 4-[(4-chlorophenyl)methyl]-1-ethyl-6,7-dimethoxyisoquinolin-2-ium bromide IUPAC Name: 4-[(4-chlorophenyl)methyl]-1-ethyl-6,7-dimethoxyisoquinolin-2-ium bromide Traditional Name: 4-(4-chlorobenzyl)-1-ethyl-6,7-dimethoxy-isoquinolin-2-ium bromide Formula: C20H21BrClNO2 MolecularWeight: 422.74324

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=[NH+]C=C(C2=CC(=C(C=C21)OC)OC)CC3=CC=C(C=C3)Cl.[Br-]

Isomeric SMILES

CCC1=[NH+]C=C(C2=CC(=C(C=C21)OC)OC)CC3=CC=C(C=C3)Cl.[Br-]

InChI

InChI=1S/C20H20ClNO2.BrH/c1-4-18-17-11-20(24-3)19(23-2)10-16(17)14(12-22-18)9-13-5-7-15(21)8-6-13;/h5-8,10-12H,4,9H2,1-3H3;1H