2-[[6-(1-adamantylamino)-6-oxidanylidene-hexoxy]-oxidanyl-phosphoryl]oxyethyl-trimethyl-azanium

Systemtic Name: 2-[[6-(1-adamantylamino)-6-oxidanylidene-hexoxy]-oxidanyl-phosphoryl]oxyethyl-trimethyl-azanium Openeye Name: 2-[[6-(1-adamantylamino)-6-oxo-hexoxy]-hydroxy-phosphoryl]oxyethyl-trimethyl-ammonium CAS Name: 2-[[6-(1-adamantylamino)-6-oxohexoxy]-hydroxyphosphoryl]oxyethyl-trimethylammonium IUPAC Name: 2-[[6-(1-adamantylamino)-6-oxohexoxy]-hydroxyphosphoryl]oxyethyl-trimethylazanium Traditional Name: 2-[[6-(1-adamantylamino)-6-keto-hexoxy]-hydroxy-phosphoryl]oxyethyl-trimethyl-ammonium Formula: C21H40N2O5P+ MolecularWeight: 431.526461

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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)/p+1