2-[(3-bromophenyl)methyl]-6,7-dimethoxy-isoquinolin-2-ium

Systemtic Name: 2-[(3-bromophenyl)methyl]-6,7-dimethoxy-isoquinolin-2-ium Openeye Name: 2-[(3-bromophenyl)methyl]-6,7-dimethoxy-isoquinolin-2-ium CAS Name: 2-[(3-bromophenyl)methyl]-6,7-dimethoxyisoquinolin-2-ium IUPAC Name: 2-[(3-bromophenyl)methyl]-6,7-dimethoxyisoquinolin-2-ium Traditional Name: 2-(3-bromobenzyl)-6,7-dimethoxy-isoquinolin-2-ium Formula: C18H17BrNO2+ MolecularWeight: 359.23708

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C=[N+](C=CC2=C1)CC3=CC(=CC=C3)Br)OC

Isomeric SMILES

COC1=C(C=C2C=[N+](C=CC2=C1)CC3=CC(=CC=C3)Br)OC

InChI

InChI=1S/C18H17BrNO2/c1-21-17-9-14-6-7-20(12-15(14)10-18(17)22-2)11-13-4-3-5-16(19)8-13/h3-10,12H,11H2,1-2H3/q+1