[3-(1-azoniabicyclo[2.2.2]octan-1-yl)-2-tetradecoxycarbonyloxy-propyl]phosphonic acid

Systemtic Name: [3-(1-azoniabicyclo[2.2.2]octan-1-yl)-2-tetradecoxycarbonyloxy-propyl]phosphonic acid Openeye Name: (3-quinuclidin-1-ium-1-yl-2-tetradecoxycarbonyloxy-propyl)phosphonic acid CAS Name: [3-(1-azoniabicyclo[2.2.2]octan-1-yl)-2-[oxo(tetradecoxy)methoxy]propyl]phosphonic acid IUPAC Name: [3-(1-azoniabicyclo[2.2.2]octan-1-yl)-2-tetradecoxycarbonyloxypropyl]phosphonic acid Traditional Name: (2-myristyloxycarbonyloxy-3-quinuclidin-1-ium-1-yl-propyl)phosphonic acid Formula: C25H49NO6P+ MolecularWeight: 490.633421

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCOC(=O)OC(C[N+]12CCC(CC1)CC2)CP(=O)(O)O

Isomeric SMILES

CCCCCCCCCCCCCCOC(=O)OC(C[N+]12CCC(CC1)CC2)CP(=O)(O)O

InChI

InChI=1S/C25H48NO6P/c1-2-3-4-5-6-7-8-9-10-11-12-13-20-31-25(27)32-24(22-33(28,29)30)21-26-17-14-23(15-18-26)16-19-26/h23-24H,2-22H2,1H3,(H-,28,29,30)/p+1