2-[1-methyl-1-(phenylmethyl)piperidin-1-ium-4-yl]ethyl octadecyl phosphate dihydrate

Systemtic Name: 2-[1-methyl-1-(phenylmethyl)piperidin-1-ium-4-yl]ethyl octadecyl phosphate dihydrate Openeye Name: 2-(1-benzyl-1-methyl-piperidin-1-ium-4-yl)ethyl octadecyl phosphate dihydrate CAS Name: 2-[1-methyl-1-(phenylmethyl)-4-piperidin-1-iumyl]ethyl octadecyl phosphate dihydrate IUPAC Name: 2-(1-benzyl-1-methylpiperidin-1-ium-4-yl)ethyl octadecyl phosphate dihydrate Traditional Name: 2-(1-benzyl-1-methyl-piperidin-1-ium-4-yl)ethyl stearyl phosphate dihydrate Formula: C33H64NO6P MolecularWeight: 601.838121

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C33H60NO4P.2H2O/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-21-29-37-39(35,36)38-30-26-32-24-27-34(2,28-25-32)31-33-22-19-18-20-23-33;;/h18-20,22-23,32H,3-17,21,24-31H2,1-2H3;2*1H2