5-(6,8-dimethoxy-1,3-dimethyl-isoquinolin-2-ium-2-yl)-1,3-benzothiazole tetrafluoroborate

Systemtic Name: 5-(6,8-dimethoxy-1,3-dimethyl-isoquinolin-2-ium-2-yl)-1,3-benzothiazole tetrafluoroborate Openeye Name: 5-(6,8-dimethoxy-1,3-dimethyl-isoquinolin-2-ium-2-yl)-1,3-benzothiazole tetrafluoroborate CAS Name: 5-(6,8-dimethoxy-1,3-dimethyl-2-isoquinolin-2-iumyl)-1,3-benzothiazole tetrafluoroborate IUPAC Name: 5-(6,8-dimethoxy-1,3-dimethylisoquinolin-2-ium-2-yl)-1,3-benzothiazole tetrafluoroborate Traditional Name: 5-(6,8-dimethoxy-1,3-dimethyl-isoquinolin-2-ium-2-yl)-1,3-benzothiazole tetrafluoroborate Formula: C20H19BF4N2O2S MolecularWeight: 438.246673

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Descriptors Computed from Structure

Canonical SMILES:

[B-](F)(F)(F)F.CC1=CC2=CC(=CC(=C2C(=[N+]1C3=CC4=C(C=C3)SC=N4)C)OC)OC

Isomeric SMILES

[B-](F)(F)(F)F.CC1=CC2=CC(=CC(=C2C(=[N+]1C3=CC4=C(C=C3)SC=N4)C)OC)OC

InChI

InChI=1S/C20H19N2O2S.BF4/c1-12-7-14-8-16(23-3)10-18(24-4)20(14)13(2)22(12)15-5-6-19-17(9-15)21-11-25-19;2-1(3,4)5/h5-11H,1-4H3;/q+1;-1