5-azoniaspiro[4.5]decan-8-yl octadecyl phosphate trihydrate

Systemtic Name: 5-azoniaspiro[4.5]decan-8-yl octadecyl phosphate trihydrate Openeye Name: 5-azoniaspiro[4.5]decan-8-yl octadecyl phosphate trihydrate CAS Name: 5-azoniaspiro[4.5]decan-8-yl octadecyl phosphate trihydrate IUPAC Name: 5-azoniaspiro[4.5]decan-8-yl octadecyl phosphate trihydrate Traditional Name: 5-azoniaspiro[4.5]decan-8-yl stearyl phosphate trihydrate Formula: C27H60NO7P MolecularWeight: 541.741561

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCOP(=O)([O-])OC1CC[N+]2(CCCC2)CC1.O.O.O

Isomeric SMILES

CCCCCCCCCCCCCCCCCCOP(=O)([O-])OC1CC[N+]2(CCCC2)CC1.O.O.O

InChI

InChI=1S/C27H54NO4P.3H2O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-19-26-31-33(29,30)32-27-20-24-28(25-21-27)22-17-18-23-28;;;/h27H,2-26H2,1H3;3*1H2