2-[(2-imidazol-1-yl-3-octadecoxy-propoxy)-oxidanyl-phosphoryl]ethyl-trimethyl-azanium

Systemtic Name: 2-[(2-imidazol-1-yl-3-octadecoxy-propoxy)-oxidanyl-phosphoryl]ethyl-trimethyl-azanium Openeye Name: 2-[hydroxy-(2-imidazol-1-yl-3-octadecoxy-propoxy)phosphoryl]ethyl-trimethyl-ammonium CAS Name: 2-[hydroxy-[2-(1-imidazolyl)-3-octadecoxypropoxy]phosphoryl]ethyl-trimethylammonium IUPAC Name: 2-[hydroxy-(2-imidazol-1-yl-3-octadecoxypropoxy)phosphoryl]ethyl-trimethylazanium Traditional Name: 2-[hydroxy-(2-imidazol-1-yl-3-stearyloxy-propoxy)phosphoryl]ethyl-trimethyl-ammonium Formula: C29H59N3O4P+ MolecularWeight: 544.770221

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCOCC(COP(=O)(CC[N+](C)(C)C)O)N1C=CN=C1

Isomeric SMILES

CCCCCCCCCCCCCCCCCCOCC(COP(=O)(CC[N+](C)(C)C)O)N1C=CN=C1

InChI

InChI=1S/C29H58N3O4P/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-24-35-26-29(31-22-21-30-28-31)27-36-37(33,34)25-23-32(2,3)4/h21-22,28-29H,5-20,23-27H2,1-4H3/p+1