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

Systemtic Name: (8,8-dimethyl-8-azoniabicyclo[3.2.1]octan-3-yl) (3-hexadecoxy-2-phenylmethoxy-propyl) phosphate Openeye Name: (2-benzyloxy-3-hexadecoxy-propyl) (8,8-dimethyl-8-azoniabicyclo[3.2.1]octan-3-yl) phosphate CAS Name: (8,8-dimethyl-8-azoniabicyclo[3.2.1]octan-3-yl) (3-hexadecoxy-2-phenylmethoxypropyl) phosphate IUPAC Name: (8,8-dimethyl-8-azoniabicyclo[3.2.1]octan-3-yl) (3-hexadecoxy-2-phenylmethoxypropyl) phosphate Traditional Name: (2-benzoxy-3-cetyloxy-propyl) (8,8-dimethyl-8-azoniabicyclo[3.2.1]octan-3-yl) phosphate Formula: C35H62NO6P MolecularWeight: 623.843641

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCOCC(COP(=O)([O-])OC1CC2CCC(C1)[N+]2(C)C)OCC3=CC=CC=C3

Isomeric SMILES

CCCCCCCCCCCCCCCCOCC(COP(=O)([O-])OC1CC2CCC(C1)[N+]2(C)C)OCC3=CC=CC=C3

InChI

InChI=1S/C35H62NO6P/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-20-25-39-29-35(40-28-31-21-18-17-19-22-31)30-41-43(37,38)42-34-26-32-23-24-33(27-34)36(32,2)3/h17-19,21-22,32-35H,4-16,20,23-30H2,1-3H3