methyl sulfate; 1-[3,3,3-tris(fluoranyl)propyl]quinolin-1-ium

Systemtic Name: methyl sulfate; 1-[3,3,3-tris(fluoranyl)propyl]quinolin-1-ium Openeye Name: methyl sulfate; 1-(3,3,3-trifluoropropyl)quinolin-1-ium CAS Name: methyl sulfate; 1-(3,3,3-trifluoropropyl)quinolin-1-ium IUPAC Name: methyl sulfate; 1-(3,3,3-trifluoropropyl)quinolin-1-ium Traditional Name: methyl sulfate; 1-(3,3,3-trifluoropropyl)quinolin-1-ium Formula: C13H14F3NO4S MolecularWeight: 337.31477

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Descriptors Computed from Structure

Canonical SMILES:

COS(=O)(=O)[O-].C1=CC=C2C(=C1)C=CC=[N+]2CCC(F)(F)F

Isomeric SMILES

COS(=O)(=O)[O-].C1=CC=C2C(=C1)C=CC=[N+]2CCC(F)(F)F

InChI

InChI=1S/C12H11F3N.CH4O4S/c13-12(14,15)7-9-16-8-3-5-10-4-1-2-6-11(10)16;1-5-6(2,3)4/h1-6,8H,7,9H2;1H3,(H,2,3,4)/q+1;/p-1