2-[2-(furan-2-yl)-3-(octadecylcarbamoyloxymethyl)quinolin-1-ium-1-yl]ethoxy-methoxy-oxidanylidene-phosphanium hydroxide

Systemtic Name: 2-[2-(furan-2-yl)-3-(octadecylcarbamoyloxymethyl)quinolin-1-ium-1-yl]ethoxy-methoxy-oxidanylidene-phosphanium hydroxide Openeye Name: 2-[2-(2-furyl)-3-(octadecylcarbamoyloxymethyl)quinolin-1-ium-1-yl]ethoxy-methoxy-oxo-phosphonium hydroxide CAS Name: 2-[2-(2-furanyl)-3-[[(octadecylamino)-oxomethoxy]methyl]-1-quinolin-1-iumyl]ethoxy-methoxy-oxophosphonium hydroxide IUPAC Name: 2-[2-(furan-2-yl)-3-(octadecylcarbamoyloxymethyl)quinolin-1-ium-1-yl]ethoxy-methoxy-oxophosphanium hydroxide Traditional Name: 2-[2-(2-furyl)-3-(stearylcarbamoyloxymethyl)quinolin-1-ium-1-yl]ethoxy-keto-methoxy-phosphonium hydroxide Formula: C36H56N2O7P+ MolecularWeight: 659.812801

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCNC(=O)OCC1=CC2=CC=CC=C2[N+](=C1C3=CC=CO3)CCO[P+](=O)OC.[OH-]

Isomeric SMILES

CCCCCCCCCCCCCCCCCCNC(=O)OCC1=CC2=CC=CC=C2[N+](=C1C3=CC=CO3)CCO[P+](=O)OC.[OH-]

InChI

InChI=1S/C36H54N2O6P.H2O/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20-25-37-36(39)43-30-32-29-31-22-18-19-23-33(31)38(26-28-44-45(40)41-2)35(32)34-24-21-27-42-34;/h18-19,21-24,27,29H,3-17,20,25-26,28,30H2,1-2H3;1H2/q+1;