(1-ethyl-1-methyl-piperidin-1-ium-4-yl) octadecyl phosphate dihydrate

Systemtic Name: (1-ethyl-1-methyl-piperidin-1-ium-4-yl) octadecyl phosphate dihydrate Openeye Name: (1-ethyl-1-methyl-piperidin-1-ium-4-yl) octadecyl phosphate dihydrate CAS Name: (1-ethyl-1-methyl-4-piperidin-1-iumyl) octadecyl phosphate dihydrate IUPAC Name: (1-ethyl-1-methylpiperidin-1-ium-4-yl) octadecyl phosphate dihydrate Traditional Name: (1-ethyl-1-methyl-piperidin-1-ium-4-yl) stearyl phosphate dihydrate Formula: C26H58NO6P MolecularWeight: 511.715581

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H54NO4P.2H2O/c1-4-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-25-30-32(28,29)31-26-21-23-27(3,5-2)24-22-26;;/h26H,4-25H2,1-3H3;2*1H2