4-[(2-fluorophenyl)methyl]-6,7-dimethoxy-isoquinolin-2-ium bromide

Systemtic Name: 4-[(2-fluorophenyl)methyl]-6,7-dimethoxy-isoquinolin-2-ium bromide Openeye Name: 4-[(2-fluorophenyl)methyl]-6,7-dimethoxy-isoquinolin-2-ium bromide CAS Name: 4-[(2-fluorophenyl)methyl]-6,7-dimethoxyisoquinolin-2-ium bromide IUPAC Name: 4-[(2-fluorophenyl)methyl]-6,7-dimethoxyisoquinolin-2-ium bromide Traditional Name: 4-(2-fluorobenzyl)-6,7-dimethoxy-isoquinolin-2-ium bromide Formula: C18H17BrFNO2 MolecularWeight: 378.235483

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(=C1)C=[NH+]C=C2CC3=CC=CC=C3F)OC.[Br-]

Isomeric SMILES

COC1=C(C=C2C(=C1)C=[NH+]C=C2CC3=CC=CC=C3F)OC.[Br-]

InChI

InChI=1S/C18H16FNO2.BrH/c1-21-17-8-14-11-20-10-13(15(14)9-18(17)22-2)7-12-5-3-4-6-16(12)19;/h3-6,8-11H,7H2,1-2H3;1H