methyl-naphthalen-1-yl-[1-[3-(trifluoromethyl)phenyl]pentyl]azanium sulfate

Systemtic Name: methyl-naphthalen-1-yl-[1-[3-(trifluoromethyl)phenyl]pentyl]azanium sulfate Openeye Name: methyl-(1-naphthyl)-[1-[3-(trifluoromethyl)phenyl]pentyl]ammonium sulfate CAS Name: methyl-(1-naphthalenyl)-[1-[3-(trifluoromethyl)phenyl]pentyl]ammonium sulfate IUPAC Name: methyl-naphthalen-1-yl-[1-[3-(trifluoromethyl)phenyl]pentyl]azanium sulfate Traditional Name: methyl-(1-naphthyl)-[1-[3-(trifluoromethyl)phenyl]pentyl]ammonium sulfate Formula: C46H50F6N2O4S MolecularWeight: 840.955619

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(C1=CC(=CC=C1)C(F)(F)F)[NH+](C)C2=CC=CC3=CC=CC=C32.CCCCC(C1=CC(=CC=C1)C(F)(F)F)[NH+](C)C2=CC=CC3=CC=CC=C32.[O-]S(=O)(=O)[O-]

Isomeric SMILES

CCCCC(C1=CC(=CC=C1)C(F)(F)F)[NH+](C)C2=CC=CC3=CC=CC=C32.CCCCC(C1=CC(=CC=C1)C(F)(F)F)[NH+](C)C2=CC=CC3=CC=CC=C32.[O-]S(=O)(=O)[O-]

InChI

InChI=1S/2C23H24F3N.H2O4S/c2*1-3-4-14-21(18-11-7-12-19(16-18)23(24,25)26)27(2)22-15-8-10-17-9-5-6-13-20(17)22;1-5(2,3)4/h2*5-13,15-16,21H,3-4,14H2,1-2H3;(H2,1,2,3,4)