4-[11-(2-adamantylidene)undecoxy-oxidanyl-phosphoryl]oxybut-2-ynyl-trimethyl-azanium

Systemtic Name: 4-[11-(2-adamantylidene)undecoxy-oxidanyl-phosphoryl]oxybut-2-ynyl-trimethyl-azanium Openeye Name: 4-[11-(2-adamantylidene)undecoxy-hydroxy-phosphoryl]oxybut-2-ynyl-trimethyl-ammonium CAS Name: 4-[11-(2-adamantylidene)undecoxy-hydroxyphosphoryl]oxybut-2-ynyl-trimethylammonium IUPAC Name: 4-[11-(2-adamantylidene)undecoxy-hydroxyphosphoryl]oxybut-2-ynyl-trimethylazanium Traditional Name: 4-[11-(2-adamantylidene)undecoxy-hydroxy-phosphoryl]oxybut-2-ynyl-trimethyl-ammonium Formula: C28H49NO4P+ MolecularWeight: 494.666721

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Descriptors Computed from Structure

Canonical SMILES:

C[N+](C)(C)CC#CCOP(=O)(O)OCCCCCCCCCCC=C1C2CC3CC(C2)CC1C3

Isomeric SMILES

C[N+](C)(C)CC#CCOP(=O)(O)OCCCCCCCCCCC=C1C2CC3CC(C2)CC1C3

InChI

InChI=1S/C28H48NO4P/c1-29(2,3)16-12-14-18-33-34(30,31)32-17-13-10-8-6-4-5-7-9-11-15-28-26-20-24-19-25(22-26)23-27(28)21-24/h15,24-27H,4-11,13,16-23H2,1-3H3/p+1