2-[(3-imidazol-1-yl-4-octadecoxy-butyl)-oxidanyl-phosphoryl]oxyethyl-trimethyl-azanium

Systemtic Name: 2-[(3-imidazol-1-yl-4-octadecoxy-butyl)-oxidanyl-phosphoryl]oxyethyl-trimethyl-azanium Openeye Name: 2-[hydroxy-(3-imidazol-1-yl-4-octadecoxy-butyl)phosphoryl]oxyethyl-trimethyl-ammonium CAS Name: 2-[hydroxy-[3-(1-imidazolyl)-4-octadecoxybutyl]phosphoryl]oxyethyl-trimethylammonium IUPAC Name: 2-[hydroxy-(3-imidazol-1-yl-4-octadecoxybutyl)phosphoryl]oxyethyl-trimethylazanium Traditional Name: 2-[hydroxy-(3-imidazol-1-yl-4-stearyloxy-butyl)phosphoryl]oxyethyl-trimethyl-ammonium Formula: C30H61N3O4P+ MolecularWeight: 558.796801

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCOCC(CCP(=O)(O)OCC[N+](C)(C)C)N1C=CN=C1

Isomeric SMILES

CCCCCCCCCCCCCCCCCCOCC(CCP(=O)(O)OCC[N+](C)(C)C)N1C=CN=C1

InChI

InChI=1S/C30H60N3O4P/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-25-36-28-30(32-23-22-31-29-32)21-27-38(34,35)37-26-24-33(2,3)4/h22-23,29-30H,5-21,24-28H2,1-4H3/p+1