1-(2-methylsulfonyloxyethylamino)-7-propyl-1-(trifluoromethyl)indol-1-ium-2-carboxylic acid

Systemtic Name: 1-(2-methylsulfonyloxyethylamino)-7-propyl-1-(trifluoromethyl)indol-1-ium-2-carboxylic acid Openeye Name: 1-(2-methylsulfonyloxyethylamino)-7-propyl-1-(trifluoromethyl)indol-1-ium-2-carboxylic acid CAS Name: 1-(2-methylsulfonyloxyethylamino)-7-propyl-1-(trifluoromethyl)-2-indol-1-iumcarboxylic acid IUPAC Name: 1-(2-methylsulfonyloxyethylamino)-7-propyl-1-(trifluoromethyl)indol-1-ium-2-carboxylic acid Traditional Name: 1-(2-methylsulfonyloxyethylamino)-7-propyl-1-(trifluoromethyl)indol-1-ium-2-carboxylic acid Formula: C16H20F3N2O5S+ MolecularWeight: 409.40061

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC=CC2=C1[N+](C(=C2)C(=O)O)(C(F)(F)F)NCCOS(=O)(=O)C

Isomeric SMILES

CCCC1=CC=CC2=C1[N+](C(=C2)C(=O)O)(C(F)(F)F)NCCOS(=O)(=O)C

InChI

InChI=1S/C16H19F3N2O5S/c1-3-5-11-6-4-7-12-10-13(15(22)23)21(14(11)12,16(17,18)19)20-8-9-26-27(2,24)25/h4,6-7,10,20H,3,5,8-9H2,1-2H3/p+1