[3-(dimethylamino)-2-(3-fluoranyl-4-octoxy-phenyl)prop-1-enylidene]-dimethyl-azanium perchlorate

Systemtic Name: [3-(dimethylamino)-2-(3-fluoranyl-4-octoxy-phenyl)prop-1-enylidene]-dimethyl-azanium perchlorate Openeye Name: [3-(dimethylamino)-2-(3-fluoro-4-octoxy-phenyl)prop-1-enylidene]-dimethyl-ammonium perchlorate CAS Name: [3-(dimethylamino)-2-(3-fluoro-4-octoxyphenyl)prop-1-enylidene]-dimethylammonium perchlorate IUPAC Name: [3-(dimethylamino)-2-(3-fluoro-4-octoxyphenyl)prop-1-enylidene]-dimethylazanium perchlorate Traditional Name: [3-(dimethylamino)-2-(3-fluoro-4-octoxy-phenyl)prop-1-enylidene]-dimethyl-ammonium perchlorate Formula: C21H34ClFN2O5 MolecularWeight: 448.956463

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCOC1=C(C=C(C=C1)C(=C=[N+](C)C)CN(C)C)F.[O-]Cl(=O)(=O)=O

Isomeric SMILES

CCCCCCCCOC1=C(C=C(C=C1)C(=C=[N+](C)C)CN(C)C)F.[O-]Cl(=O)(=O)=O

InChI

InChI=1S/C21H34FN2O.ClHO4/c1-6-7-8-9-10-11-14-25-21-13-12-18(15-20(21)22)19(16-23(2)3)17-24(4)5;2-1(3,4)5/h12-13,15H,6-11,14,16H2,1-5H3;(H,2,3,4,5)/q+1;/p-1