(8-phenethyl-8-azoniabicyclo[3.2.1]octan-3-yl) 3-chloranylpropanoate chloride

Systemtic Name: (8-phenethyl-8-azoniabicyclo[3.2.1]octan-3-yl) 3-chloranylpropanoate chloride Openeye Name: (8-phenethyl-8-azoniabicyclo[3.2.1]octan-3-yl) 3-chloropropanoate chloride CAS Name: 3-chloropropanoic acid (8-phenethyl-8-azoniabicyclo[3.2.1]octan-3-yl) ester chloride IUPAC Name: (8-phenethyl-8-azoniabicyclo[3.2.1]octan-3-yl) 3-chloropropanoate chloride Traditional Name: 3-chloropropionic acid (8-phenethyl-8-azoniabicyclo[3.2.1]octan-3-yl) ester chloride Formula: C18H25Cl2NO2 MolecularWeight: 358.3026

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Descriptors Computed from Structure

Canonical SMILES:

C1CC2CC(CC1[NH+]2CCC3=CC=CC=C3)OC(=O)CCCl.[Cl-]

Isomeric SMILES

C1CC2CC(CC1[NH+]2CCC3=CC=CC=C3)OC(=O)CCCl.[Cl-]

InChI

InChI=1S/C18H24ClNO2.ClH/c19-10-8-18(21)22-17-12-15-6-7-16(13-17)20(15)11-9-14-4-2-1-3-5-14;/h1-5,15-17H,6-13H2;1H