diethyl-[4-(4-fluorophenyl)butyl]-heptyl-azanium; methanesulfonate

Systemtic Name: diethyl-[4-(4-fluorophenyl)butyl]-heptyl-azanium; methanesulfonate Openeye Name: diethyl-[4-(4-fluorophenyl)butyl]-heptyl-ammonium; methanesulfonate CAS Name: diethyl-[4-(4-fluorophenyl)butyl]-heptylammonium; methanesulfonate IUPAC Name: diethyl-[4-(4-fluorophenyl)butyl]-heptylazanium; methanesulfonate Traditional Name: diethyl-[4-(4-fluorophenyl)butyl]-heptyl-ammonium mesylate Formula: C22H40FNO3S MolecularWeight: 417.621303

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC[N+](CC)(CC)CCCCC1=CC=C(C=C1)F.CS(=O)(=O)[O-]

Isomeric SMILES

CCCCCCC[N+](CC)(CC)CCCCC1=CC=C(C=C1)F.CS(=O)(=O)[O-]

InChI

InChI=1S/C21H37FN.CH4O3S/c1-4-7-8-9-11-18-23(5-2,6-3)19-12-10-13-20-14-16-21(22)17-15-20;1-5(2,3)4/h14-17H,4-13,18-19H2,1-3H3;1H3,(H,2,3,4)/q+1;/p-1