(8-ethanimidoyl-8-azabicyclo[3.2.1]octan-3-yl) 3-oxidanyl-2-phenyl-propanoate chloride

Systemtic Name: (8-ethanimidoyl-8-azabicyclo[3.2.1]octan-3-yl) 3-oxidanyl-2-phenyl-propanoate chloride Openeye Name: (8-ethanimidoyl-8-azabicyclo[3.2.1]octan-3-yl) 3-hydroxy-2-phenyl-propanoate chloride CAS Name: 3-hydroxy-2-phenylpropanoic acid [8-(1-iminoethyl)-8-azabicyclo[3.2.1]octan-3-yl] ester chloride IUPAC Name: (8-ethanimidoyl-8-azabicyclo[3.2.1]octan-3-yl) 3-hydroxy-2-phenylpropanoate chloride Traditional Name: 3-hydroxy-2-phenyl-propionic acid (8-acetimidoyl-8-azabicyclo[3.2.1]octan-3-yl) ester chloride Formula: C18H24ClN2O3- MolecularWeight: 351.84776

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Descriptors Computed from Structure

Canonical SMILES:

CC(=N)N1C2CCC1CC(C2)OC(=O)C(CO)C3=CC=CC=C3.[Cl-]

Isomeric SMILES

CC(=N)N1C2CCC1CC(C2)OC(=O)C(CO)C3=CC=CC=C3.[Cl-]

InChI

InChI=1S/C18H24N2O3.ClH/c1-12(19)20-14-7-8-15(20)10-16(9-14)23-18(22)17(11-21)13-5-3-2-4-6-13;/h2-6,14-17,19,21H,7-11H2,1H3;1H/p-1