(2-acetyloxy-1-hexadecoxy-4-methyl-pentan-3-yl) (1-methyl-1-azoniabicyclo[2.2.2]octan-3-yl) phosphate

Systemtic Name: (2-acetyloxy-1-hexadecoxy-4-methyl-pentan-3-yl) (1-methyl-1-azoniabicyclo[2.2.2]octan-3-yl) phosphate Openeye Name: (2-acetoxy-3-hexadecoxy-1-isopropyl-propyl) (1-methylquinuclidin-1-ium-3-yl) phosphate CAS Name: (2-acetyloxy-1-hexadecoxy-4-methylpentan-3-yl) (1-methyl-1-azoniabicyclo[2.2.2]octan-3-yl) phosphate IUPAC Name: (2-acetyloxy-1-hexadecoxy-4-methylpentan-3-yl) (1-methyl-1-azoniabicyclo[2.2.2]octan-3-yl) phosphate Traditional Name: (2-acetoxy-3-cetyloxy-1-isopropyl-propyl) (1-methylquinuclidin-1-ium-3-yl) phosphate Formula: C32H62NO7P MolecularWeight: 603.810941

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCOCC(C(C(C)C)OP(=O)([O-])OC1C[N+]2(CCC1CC2)C)OC(=O)C

Isomeric SMILES

CCCCCCCCCCCCCCCCOCC(C(C(C)C)OP(=O)([O-])OC1C[N+]2(CCC1CC2)C)OC(=O)C

InChI

InChI=1S/C32H62NO7P/c1-6-7-8-9-10-11-12-13-14-15-16-17-18-19-24-37-26-31(38-28(4)34)32(27(2)3)40-41(35,36)39-30-25-33(5)22-20-29(30)21-23-33/h27,29-32H,6-26H2,1-5H3