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

Systemtic Name: 4-[(4-chlorophenyl)methyl]-6,7-dimethoxy-1-propan-2-yl-isoquinolin-2-ium bromide Openeye Name: 4-[(4-chlorophenyl)methyl]-1-isopropyl-6,7-dimethoxy-isoquinolin-2-ium bromide CAS Name: 4-[(4-chlorophenyl)methyl]-6,7-dimethoxy-1-propan-2-ylisoquinolin-2-ium bromide IUPAC Name: 4-[(4-chlorophenyl)methyl]-6,7-dimethoxy-1-propan-2-ylisoquinolin-2-ium bromide Traditional Name: 4-(4-chlorobenzyl)-1-isopropyl-6,7-dimethoxy-isoquinolin-2-ium bromide Formula: C21H23BrClNO2 MolecularWeight: 436.76982

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=[NH+]C=C(C2=CC(=C(C=C21)OC)OC)CC3=CC=C(C=C3)Cl.[Br-]

Isomeric SMILES

CC(C)C1=[NH+]C=C(C2=CC(=C(C=C21)OC)OC)CC3=CC=C(C=C3)Cl.[Br-]

InChI

InChI=1S/C21H22ClNO2.BrH/c1-13(2)21-18-11-20(25-4)19(24-3)10-17(18)15(12-23-21)9-14-5-7-16(22)8-6-14;/h5-8,10-13H,9H2,1-4H3;1H