(2-acetyloxy-1-hexadecoxy-4-methyl-pentan-3-yl) (8,8-dimethyl-8-azoniabicyclo[3.2.1]octan-3-yl) phosphate

Systemtic Name: (2-acetyloxy-1-hexadecoxy-4-methyl-pentan-3-yl) (8,8-dimethyl-8-azoniabicyclo[3.2.1]octan-3-yl) phosphate Openeye Name: (2-acetoxy-3-hexadecoxy-1-isopropyl-propyl) (8,8-dimethyl-8-azoniabicyclo[3.2.1]octan-3-yl) phosphate CAS Name: (2-acetyloxy-1-hexadecoxy-4-methylpentan-3-yl) (8,8-dimethyl-8-azoniabicyclo[3.2.1]octan-3-yl) phosphate IUPAC Name: (2-acetyloxy-1-hexadecoxy-4-methylpentan-3-yl) (8,8-dimethyl-8-azoniabicyclo[3.2.1]octan-3-yl) phosphate Traditional Name: (2-acetoxy-3-cetyloxy-1-isopropyl-propyl) (8,8-dimethyl-8-azoniabicyclo[3.2.1]octan-3-yl) phosphate Formula: C33H64NO7P MolecularWeight: 617.837521

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCOCC(C(C(C)C)OP(=O)([O-])OC1CC2CCC(C1)[N+]2(C)C)OC(=O)C

Isomeric SMILES

CCCCCCCCCCCCCCCCOCC(C(C(C)C)OP(=O)([O-])OC1CC2CCC(C1)[N+]2(C)C)OC(=O)C

InChI

InChI=1S/C33H64NO7P/c1-7-8-9-10-11-12-13-14-15-16-17-18-19-20-23-38-26-32(39-28(4)35)33(27(2)3)41-42(36,37)40-31-24-29-21-22-30(25-31)34(29,5)6/h27,29-33H,7-26H2,1-6H3