2-[(2-fluorophenyl)methyl]-6,7-dimethoxy-1-undecyl-3,4-dihydroisoquinolin-2-ium chloride

Systemtic Name: 2-[(2-fluorophenyl)methyl]-6,7-dimethoxy-1-undecyl-3,4-dihydroisoquinolin-2-ium chloride Openeye Name: 2-[(2-fluorophenyl)methyl]-6,7-dimethoxy-1-undecyl-3,4-dihydroisoquinolin-2-ium chloride CAS Name: 2-[(2-fluorophenyl)methyl]-6,7-dimethoxy-1-undecyl-3,4-dihydroisoquinolin-2-ium chloride IUPAC Name: 2-[(2-fluorophenyl)methyl]-6,7-dimethoxy-1-undecyl-3,4-dihydroisoquinolin-2-ium chloride Traditional Name: 2-(2-fluorobenzyl)-6,7-dimethoxy-1-undecyl-3,4-dihydroisoquinolin-2-ium chloride Formula: C29H41ClFNO2 MolecularWeight: 490.092743

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCC1=[N+](CCC2=CC(=C(C=C21)OC)OC)CC3=CC=CC=C3F.[Cl-]

Isomeric SMILES

CCCCCCCCCCCC1=[N+](CCC2=CC(=C(C=C21)OC)OC)CC3=CC=CC=C3F.[Cl-]

InChI

InChI=1S/C29H41FNO2.ClH/c1-4-5-6-7-8-9-10-11-12-17-27-25-21-29(33-3)28(32-2)20-23(25)18-19-31(27)22-24-15-13-14-16-26(24)30;/h13-16,20-21H,4-12,17-19,22H2,1-3H3;1H/q+1;/p-1