2-(4-butylphenyl)-6,8-dimethoxy-1,3-dimethyl-isoquinolin-2-ium tetrafluoroborate

Systemtic Name: 2-(4-butylphenyl)-6,8-dimethoxy-1,3-dimethyl-isoquinolin-2-ium tetrafluoroborate Openeye Name: 2-(4-butylphenyl)-6,8-dimethoxy-1,3-dimethyl-isoquinolin-2-ium tetrafluoroborate CAS Name: 2-(4-butylphenyl)-6,8-dimethoxy-1,3-dimethylisoquinolin-2-ium tetrafluoroborate IUPAC Name: 2-(4-butylphenyl)-6,8-dimethoxy-1,3-dimethylisoquinolin-2-ium tetrafluoroborate Traditional Name: 2-(4-butylphenyl)-6,8-dimethoxy-1,3-dimethyl-isoquinolin-2-ium tetrafluoroborate Formula: C23H28BF4NO2 MolecularWeight: 437.278533

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Descriptors Computed from Structure

Canonical SMILES:

[B-](F)(F)(F)F.CCCCC1=CC=C(C=C1)[N+]2=C(C3=C(C=C(C=C3C=C2C)OC)OC)C

Isomeric SMILES

[B-](F)(F)(F)F.CCCCC1=CC=C(C=C1)[N+]2=C(C3=C(C=C(C=C3C=C2C)OC)OC)C

InChI

InChI=1S/C23H28NO2.BF4/c1-6-7-8-18-9-11-20(12-10-18)24-16(2)13-19-14-21(25-4)15-22(26-5)23(19)17(24)3;2-1(3,4)5/h9-15H,6-8H2,1-5H3;/q+1;-1