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

Systemtic Name: tert-butyl-[(2S)-3-[(1S,2R,5S)-5-methyl-2-propan-2-yl-cyclohexyl]oxy-2-oxidanyl-propyl]azanium Openeye Name: tert-butyl-[(2S)-2-hydroxy-3-[(1S,2R,5S)-2-isopropyl-5-methyl-cyclohexoxy]propyl]ammonium CAS Name: tert-butyl-[(2S)-2-hydroxy-3-[(1S,2R,5S)-5-methyl-2-propan-2-ylcyclohexyl]oxypropyl]ammonium IUPAC Name: tert-butyl-[(2S)-2-hydroxy-3-[(1S,2R,5S)-5-methyl-2-propan-2-ylcyclohexyl]oxypropyl]azanium Traditional Name: tert-butyl-[(2S)-2-hydroxy-3-[(1S,2R,5S)-2-isopropyl-5-methyl-cyclohexoxy]propyl]ammonium Formula: C17H36NO2+ MolecularWeight: 286.47324

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC(C(C1)OCC(C[NH2+]C(C)(C)C)O)C(C)C

Isomeric SMILES

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

InChI

InChI=1S/C17H35NO2/c1-12(2)15-8-7-13(3)9-16(15)20-11-14(19)10-18-17(4,5)6/h12-16,18-19H,7-11H2,1-6H3/p+1/t13-,14-,15+,16-/m0/s1