(2S)-1-(1,3-benzodioxol-5-ylmethoxy)-3-piperidin-1-ium-1-yl-propan-2-ol

Systemtic Name: (2S)-1-(1,3-benzodioxol-5-ylmethoxy)-3-piperidin-1-ium-1-yl-propan-2-ol Openeye Name: (2S)-1-(1,3-benzodioxol-5-ylmethoxy)-3-piperidin-1-ium-1-yl-propan-2-ol CAS Name: (2S)-1-(1,3-benzodioxol-5-ylmethoxy)-3-(1-piperidin-1-iumyl)-2-propanol IUPAC Name: (2S)-1-(1,3-benzodioxol-5-ylmethoxy)-3-piperidin-1-ium-1-ylpropan-2-ol Traditional Name: (2S)-1-piperidin-1-ium-1-yl-3-piperonyloxy-propan-2-ol Formula: C16H24NO4+ MolecularWeight: 294.36606

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](CC1)CC(COCC2=CC3=C(C=C2)OCO3)O

Isomeric SMILES

C1CC[NH+](CC1)C[C@@H](COCC2=CC3=C(C=C2)OCO3)O

InChI

InChI=1S/C16H23NO4/c18-14(9-17-6-2-1-3-7-17)11-19-10-13-4-5-15-16(8-13)21-12-20-15/h4-5,8,14,18H,1-3,6-7,9-12H2/p+1/t14-/m0/s1