(2R)-1-(1,3-benzodioxol-5-yloxy)-3-[(2S)-2-ethylpiperidin-1-ium-1-yl]propan-2-ol

Systemtic Name: (2R)-1-(1,3-benzodioxol-5-yloxy)-3-[(2S)-2-ethylpiperidin-1-ium-1-yl]propan-2-ol Openeye Name: (2R)-1-(1,3-benzodioxol-5-yloxy)-3-[(2S)-2-ethylpiperidin-1-ium-1-yl]propan-2-ol CAS Name: (2R)-1-(1,3-benzodioxol-5-yloxy)-3-[(2S)-2-ethyl-1-piperidin-1-iumyl]-2-propanol IUPAC Name: (2R)-1-(1,3-benzodioxol-5-yloxy)-3-[(2S)-2-ethylpiperidin-1-ium-1-yl]propan-2-ol Traditional Name: (2R)-1-(1,3-benzodioxol-5-yloxy)-3-[(2S)-2-ethylpiperidin-1-ium-1-yl]propan-2-ol Formula: C17H26NO4+ MolecularWeight: 308.39264

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Descriptors Computed from Structure

Canonical SMILES:

CCC1CCCC[NH+]1CC(COC2=CC3=C(C=C2)OCO3)O

Isomeric SMILES

CC[C@H]1CCCC[NH+]1C[C@H](COC2=CC3=C(C=C2)OCO3)O

InChI

InChI=1S/C17H25NO4/c1-2-13-5-3-4-8-18(13)10-14(19)11-20-15-6-7-16-17(9-15)22-12-21-16/h6-7,9,13-14,19H,2-5,8,10-12H2,1H3/p+1/t13-,14+/m0/s1