methyl-[(2S)-2-oxidanyl-3-[(1S,5S)-3,3,5-trimethylcyclohexyl]oxy-propyl]azanium

Systemtic Name: methyl-[(2S)-2-oxidanyl-3-[(1S,5S)-3,3,5-trimethylcyclohexyl]oxy-propyl]azanium Openeye Name: [(2S)-2-hydroxy-3-[(1S,5S)-3,3,5-trimethylcyclohexoxy]propyl]-methyl-ammonium CAS Name: [(2S)-2-hydroxy-3-[(1S,5S)-3,3,5-trimethylcyclohexyl]oxypropyl]-methylammonium IUPAC Name: [(2S)-2-hydroxy-3-[(1S,5S)-3,3,5-trimethylcyclohexyl]oxypropyl]-methylazanium Traditional Name: [(2S)-2-hydroxy-3-[(1S,5S)-3,3,5-trimethylcyclohexoxy]propyl]-methyl-ammonium Formula: C13H28NO2+ MolecularWeight: 230.36692

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC(CC(C1)(C)C)OCC(C[NH2+]C)O

Isomeric SMILES

C[C@@H]1C[C@@H](CC(C1)(C)C)OC[C@H](C[NH2+]C)O

InChI

InChI=1S/C13H27NO2/c1-10-5-12(7-13(2,3)6-10)16-9-11(15)8-14-4/h10-12,14-15H,5-9H2,1-4H3/p+1/t10-,11+,12+/m1/s1