1-(1,3-benzodioxol-5-yl)-3-(1-methylpiperidin-1-ium-1-yl)propan-1-ol iodide

Systemtic Name: 1-(1,3-benzodioxol-5-yl)-3-(1-methylpiperidin-1-ium-1-yl)propan-1-ol iodide Openeye Name: 1-(1,3-benzodioxol-5-yl)-3-(1-methylpiperidin-1-ium-1-yl)propan-1-ol iodide CAS Name: 1-(1,3-benzodioxol-5-yl)-3-(1-methyl-1-piperidin-1-iumyl)-1-propanol iodide IUPAC Name: 1-(1,3-benzodioxol-5-yl)-3-(1-methylpiperidin-1-ium-1-yl)propan-1-ol iodide Traditional Name: 1-(1,3-benzodioxol-5-yl)-3-(1-methylpiperidin-1-ium-1-yl)propan-1-ol iodide Formula: C16H24INO3 MolecularWeight: 405.27113

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1(CCCCC1)CCC(C2=CC3=C(C=C2)OCO3)O.[I-]

Isomeric SMILES

C[N+]1(CCCCC1)CCC(C2=CC3=C(C=C2)OCO3)O.[I-]

InChI

InChI=1S/C16H24NO3.HI/c1-17(8-3-2-4-9-17)10-7-14(18)13-5-6-15-16(11-13)20-12-19-15;/h5-6,11,14,18H,2-4,7-10,12H2,1H3;1H/q+1;/p-1