(2S)-1-(2-methylpropoxy)-3-piperidin-1-ium-1-yl-propan-2-ol

Systemtic Name: (2S)-1-(2-methylpropoxy)-3-piperidin-1-ium-1-yl-propan-2-ol Openeye Name: (2S)-1-isobutoxy-3-piperidin-1-ium-1-yl-propan-2-ol CAS Name: (2S)-1-(2-methylpropoxy)-3-(1-piperidin-1-iumyl)-2-propanol IUPAC Name: (2S)-1-(2-methylpropoxy)-3-piperidin-1-ium-1-ylpropan-2-ol Traditional Name: (2S)-1-isobutoxy-3-piperidin-1-ium-1-yl-propan-2-ol Formula: C12H26NO2+ MolecularWeight: 216.34034

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)COCC(C[NH+]1CCCCC1)O

Isomeric SMILES

CC(C)COC[C@H](C[NH+]1CCCCC1)O

InChI

InChI=1S/C12H25NO2/c1-11(2)9-15-10-12(14)8-13-6-4-3-5-7-13/h11-12,14H,3-10H2,1-2H3/p+1/t12-/m0/s1