(8,8-dimethyl-8-azoniabicyclo[3.2.1]octan-4-yl)methyl (3-hexadecoxy-2-phenylmethoxy-propyl) phosphate

Systemtic Name: (8,8-dimethyl-8-azoniabicyclo[3.2.1]octan-4-yl)methyl (3-hexadecoxy-2-phenylmethoxy-propyl) phosphate Openeye Name: (2-benzyloxy-3-hexadecoxy-propyl) (8,8-dimethyl-8-azoniabicyclo[3.2.1]octan-4-yl)methyl phosphate CAS Name: (8,8-dimethyl-8-azoniabicyclo[3.2.1]octan-4-yl)methyl (3-hexadecoxy-2-phenylmethoxypropyl) phosphate IUPAC Name: (8,8-dimethyl-8-azoniabicyclo[3.2.1]octan-4-yl)methyl (3-hexadecoxy-2-phenylmethoxypropyl) phosphate Traditional Name: (2-benzoxy-3-cetyloxy-propyl) (8,8-dimethyl-8-azoniabicyclo[3.2.1]octan-4-yl)methyl phosphate Formula: C36H64NO6P MolecularWeight: 637.870221

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCOCC(COP(=O)([O-])OCC1CCC2CCC1[N+]2(C)C)OCC3=CC=CC=C3

Isomeric SMILES

CCCCCCCCCCCCCCCCOCC(COP(=O)([O-])OCC1CCC2CCC1[N+]2(C)C)OCC3=CC=CC=C3

InChI

InChI=1S/C36H64NO6P/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-20-27-40-30-35(41-28-32-21-18-17-19-22-32)31-43-44(38,39)42-29-33-23-24-34-25-26-36(33)37(34,2)3/h17-19,21-22,33-36H,4-16,20,23-31H2,1-3H3