11-(2-adamantylidene)undecyl 4-(trimethylazaniumyl)but-2-ynyl phosphate

Systemtic Name: 11-(2-adamantylidene)undecyl 4-(trimethylazaniumyl)but-2-ynyl phosphate Openeye Name: 11-(2-adamantylidene)undecyl 4-(trimethylammonio)but-2-ynyl phosphate CAS Name: 11-(2-adamantylidene)undecyl 4-(trimethylammonio)but-2-ynyl phosphate IUPAC Name: 11-(2-adamantylidene)undecyl 4-(trimethylazaniumyl)but-2-ynyl phosphate Traditional Name: 11-(2-adamantylidene)undecyl 4-(trimethylammonio)but-2-ynyl phosphate Formula: C28H48NO4P MolecularWeight: 493.658781

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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