(8-methyl-8-azoniabicyclo[3.2.1]octan-3-yl) (E)-3-phenylprop-2-enoate chloride

Systemtic Name: (8-methyl-8-azoniabicyclo[3.2.1]octan-3-yl) (E)-3-phenylprop-2-enoate chloride Openeye Name: (8-methyl-8-azoniabicyclo[3.2.1]octan-3-yl) (E)-3-phenylprop-2-enoate chloride CAS Name: (E)-3-phenyl-2-propenoic acid (8-methyl-8-azoniabicyclo[3.2.1]octan-3-yl) ester chloride IUPAC Name: (8-methyl-8-azoniabicyclo[3.2.1]octan-3-yl) (E)-3-phenylprop-2-enoate chloride Traditional Name: (E)-3-phenylacrylic acid (8-methyl-8-azoniabicyclo[3.2.1]octan-3-yl) ester chloride Formula: C17H22ClNO2 MolecularWeight: 307.81508

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1C2CCC1CC(C2)OC(=O)C=CC3=CC=CC=C3.[Cl-]

Isomeric SMILES

C[NH+]1C2CCC1CC(C2)OC(=O)/C=C/C3=CC=CC=C3.[Cl-]

InChI

InChI=1S/C17H21NO2.ClH/c1-18-14-8-9-15(18)12-16(11-14)20-17(19)10-7-13-5-3-2-4-6-13;/h2-7,10,14-16H,8-9,11-12H2,1H3;1H/b10-7+;