[6-(1-adamantylamino)-6-oxidanylidene-hexyl] 2-(trimethylazaniumyl)ethyl phosphate

Systemtic Name: [6-(1-adamantylamino)-6-oxidanylidene-hexyl] 2-(trimethylazaniumyl)ethyl phosphate Openeye Name: [6-(1-adamantylamino)-6-oxo-hexyl] 2-(trimethylammonio)ethyl phosphate CAS Name: [6-(1-adamantylamino)-6-oxohexyl] 2-(trimethylammonio)ethyl phosphate IUPAC Name: [6-(1-adamantylamino)-6-oxohexyl] 2-(trimethylazaniumyl)ethyl phosphate Traditional Name: [6-(1-adamantylamino)-6-keto-hexyl] 2-(trimethylammonio)ethyl phosphate Formula: C21H39N2O5P MolecularWeight: 430.518521

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Descriptors Computed from Structure

Canonical SMILES:

C[N+](C)(C)CCOP(=O)([O-])OCCCCCC(=O)NC12CC3CC(C1)CC(C3)C2

Isomeric SMILES

C[N+](C)(C)CCOP(=O)([O-])OCCCCCC(=O)NC12CC3CC(C1)CC(C3)C2

InChI

InChI=1S/C21H39N2O5P/c1-23(2,3)8-10-28-29(25,26)27-9-6-4-5-7-20(24)22-21-14-17-11-18(15-21)13-19(12-17)16-21/h17-19H,4-16H2,1-3H3,(H-,22,24,25,26)