(1,1-diethylpiperidin-1-ium-4-yl) octadecyl phosphate dihydrate

Systemtic Name: (1,1-diethylpiperidin-1-ium-4-yl) octadecyl phosphate dihydrate Openeye Name: (1,1-diethylpiperidin-1-ium-4-yl) octadecyl phosphate dihydrate CAS Name: (1,1-diethyl-4-piperidin-1-iumyl) octadecyl phosphate dihydrate IUPAC Name: (1,1-diethylpiperidin-1-ium-4-yl) octadecyl phosphate dihydrate Traditional Name: (1,1-diethylpiperidin-1-ium-4-yl) stearyl phosphate dihydrate Formula: C27H60NO6P MolecularWeight: 525.742161

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCOP(=O)([O-])OC1CC[N+](CC1)(CC)CC.O.O

Isomeric SMILES

CCCCCCCCCCCCCCCCCCOP(=O)([O-])OC1CC[N+](CC1)(CC)CC.O.O

InChI

InChI=1S/C27H56NO4P.2H2O/c1-4-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-26-31-33(29,30)32-27-22-24-28(5-2,6-3)25-23-27;;/h27H,4-26H2,1-3H3;2*1H2