3-azaniumylpropyl [(1R,2S,5R)-5-methyl-2-propan-2-yl-cyclohexyl] phosphate

Systemtic Name: 3-azaniumylpropyl [(1R,2S,5R)-5-methyl-2-propan-2-yl-cyclohexyl] phosphate Openeye Name: 3-azaniumylpropyl [(1R,2S,5R)-2-isopropyl-5-methyl-cyclohexyl] phosphate CAS Name: 3-ammoniopropyl [(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl] phosphate IUPAC Name: 3-azaniumylpropyl [(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl] phosphate Traditional Name: 3-ammoniopropyl [(1R,2S,5R)-2-isopropyl-5-methyl-cyclohexyl] phosphate Formula: C13H28NO4P MolecularWeight: 293.339481

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC(C(C1)OP(=O)([O-])OCCC[NH3+])C(C)C

Isomeric SMILES

C[C@@H]1CC[C@H]([C@@H](C1)OP(=O)([O-])OCCC[NH3+])C(C)C

InChI

InChI=1S/C13H28NO4P/c1-10(2)12-6-5-11(3)9-13(12)18-19(15,16)17-8-4-7-14/h10-13H,4-9,14H2,1-3H3,(H,15,16)/t11-,12+,13-/m1/s1