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

Systemtic Name: methyl-[(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]-methyl-ammonium CAS Name: [(2S)-2-hydroxy-3-[(1S,2R,5S)-5-methyl-2-propan-2-ylcyclohexyl]oxypropyl]-methylammonium IUPAC Name: [(2S)-2-hydroxy-3-[(1S,2R,5S)-5-methyl-2-propan-2-ylcyclohexyl]oxypropyl]-methylazanium Traditional Name: [(2S)-2-hydroxy-3-[(1S,2R,5S)-2-isopropyl-5-methyl-cyclohexoxy]propyl]-methyl-ammonium Formula: C14H30NO2+ MolecularWeight: 244.3935

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H29NO2/c1-10(2)13-6-5-11(3)7-14(13)17-9-12(16)8-15-4/h10-16H,5-9H2,1-4H3/p+1/t11-,12-,13+,14-/m0/s1