(2S)-1-[(1S,2R,5S)-5-methyl-2-propan-2-yl-cyclohexyl]oxy-3-morpholin-4-ium-4-yl-propan-2-ol

Systemtic Name: (2S)-1-[(1S,2R,5S)-5-methyl-2-propan-2-yl-cyclohexyl]oxy-3-morpholin-4-ium-4-yl-propan-2-ol Openeye Name: (2S)-1-[(1S,2R,5S)-2-isopropyl-5-methyl-cyclohexoxy]-3-morpholin-4-ium-4-yl-propan-2-ol CAS Name: (2S)-1-[(1S,2R,5S)-5-methyl-2-propan-2-ylcyclohexyl]oxy-3-(4-morpholin-4-iumyl)-2-propanol IUPAC Name: (2S)-1-[(1S,2R,5S)-5-methyl-2-propan-2-ylcyclohexyl]oxy-3-morpholin-4-ium-4-ylpropan-2-ol Traditional Name: (2S)-1-[(1S,2R,5S)-2-isopropyl-5-methyl-cyclohexoxy]-3-morpholin-4-ium-4-yl-propan-2-ol Formula: C17H34NO3+ MolecularWeight: 300.45676

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC(C(C1)OCC(C[NH+]2CCOCC2)O)C(C)C

Isomeric SMILES

C[C@H]1CC[C@@H]([C@H](C1)OC[C@H](C[NH+]2CCOCC2)O)C(C)C

InChI

InChI=1S/C17H33NO3/c1-13(2)16-5-4-14(3)10-17(16)21-12-15(19)11-18-6-8-20-9-7-18/h13-17,19H,4-12H2,1-3H3/p+1/t14-,15-,16+,17-/m0/s1