2-[1,1-bis(phenylmethyl)piperidin-1-ium-4-yl]ethyl octadecyl phosphate hydrate

Systemtic Name: 2-[1,1-bis(phenylmethyl)piperidin-1-ium-4-yl]ethyl octadecyl phosphate hydrate Openeye Name: 2-(1,1-dibenzylpiperidin-1-ium-4-yl)ethyl octadecyl phosphate hydrate CAS Name: 2-[1,1-bis(phenylmethyl)-4-piperidin-1-iumyl]ethyl octadecyl phosphate hydrate IUPAC Name: 2-(1,1-dibenzylpiperidin-1-ium-4-yl)ethyl octadecyl phosphate hydrate Traditional Name: 2-(1,1-dibenzylpiperidin-1-ium-4-yl)ethyl stearyl phosphate hydrate Formula: C39H66NO5P MolecularWeight: 659.918801

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCOP(=O)([O-])OCCC1CC[N+](CC1)(CC2=CC=CC=C2)CC3=CC=CC=C3.O

Isomeric SMILES

CCCCCCCCCCCCCCCCCCOP(=O)([O-])OCCC1CC[N+](CC1)(CC2=CC=CC=C2)CC3=CC=CC=C3.O

InChI

InChI=1S/C39H64NO4P.H2O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-23-33-43-45(41,42)44-34-30-37-28-31-40(32-29-37,35-38-24-19-17-20-25-38)36-39-26-21-18-22-27-39;/h17-22,24-27,37H,2-16,23,28-36H2,1H3;1H2