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

Systemtic Name: [(8,8-dimethyl-8-azoniabicyclo[3.2.1]octan-3-yl)-phenyl-methyl] (3-hexadecoxy-2-phenylmethoxy-propyl) phosphate Openeye Name: (2-benzyloxy-3-hexadecoxy-propyl) [(8,8-dimethyl-8-azoniabicyclo[3.2.1]octan-3-yl)-phenyl-methyl] phosphate CAS Name: [(8,8-dimethyl-8-azoniabicyclo[3.2.1]octan-3-yl)-phenylmethyl] (3-hexadecoxy-2-phenylmethoxypropyl) phosphate IUPAC Name: [(8,8-dimethyl-8-azoniabicyclo[3.2.1]octan-3-yl)-phenylmethyl] (3-hexadecoxy-2-phenylmethoxypropyl) phosphate Traditional Name: (2-benzoxy-3-cetyloxy-propyl) [(8,8-dimethyl-8-azoniabicyclo[3.2.1]octan-3-yl)-phenyl-methyl] phosphate Formula: C42H68NO6P MolecularWeight: 713.966181

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCOCC(COP(=O)([O-])OC(C1CC2CCC(C1)[N+]2(C)C)C3=CC=CC=C3)OCC4=CC=CC=C4

Isomeric SMILES

CCCCCCCCCCCCCCCCOCC(COP(=O)([O-])OC(C1CC2CCC(C1)[N+]2(C)C)C3=CC=CC=C3)OCC4=CC=CC=C4

InChI

InChI=1S/C42H68NO6P/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-23-30-46-34-41(47-33-36-24-19-17-20-25-36)35-48-50(44,45)49-42(37-26-21-18-22-27-37)38-31-39-28-29-40(32-38)43(39,2)3/h17-22,24-27,38-42H,4-16,23,28-35H2,1-3H3