[(2S)-3-[(1S,2R,5S)-5-methyl-2-propan-2-yl-cyclohexyl]oxy-2-oxidanyl-propyl]azanium

Systemtic Name: [(2S)-3-[(1S,2R,5S)-5-methyl-2-propan-2-yl-cyclohexyl]oxy-2-oxidanyl-propyl]azanium Openeye Name: [(2S)-2-hydroxy-3-[(1S,2R,5S)-2-isopropyl-5-methyl-cyclohexoxy]propyl]ammonium CAS Name: [(2S)-2-hydroxy-3-[(1S,2R,5S)-5-methyl-2-propan-2-ylcyclohexyl]oxypropyl]ammonium IUPAC Name: [(2S)-2-hydroxy-3-[(1S,2R,5S)-5-methyl-2-propan-2-ylcyclohexyl]oxypropyl]azanium Traditional Name: [(2S)-2-hydroxy-3-[(1S,2R,5S)-2-isopropyl-5-methyl-cyclohexoxy]propyl]ammonium Formula: C13H28NO2+ MolecularWeight: 230.36692

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC(C(C1)OCC(C[NH3+])O)C(C)C

Isomeric SMILES

C[C@H]1CC[C@@H]([C@H](C1)OC[C@H](C[NH3+])O)C(C)C

InChI

InChI=1S/C13H27NO2/c1-9(2)12-5-4-10(3)6-13(12)16-8-11(15)7-14/h9-13,15H,4-8,14H2,1-3H3/p+1/t10-,11-,12+,13-/m0/s1