(8-methyl-8-azoniabicyclo[3.2.1]octan-3-yl) 2-(4-bromophenyl)prop-2-enoate chloride

Systemtic Name: (8-methyl-8-azoniabicyclo[3.2.1]octan-3-yl) 2-(4-bromophenyl)prop-2-enoate chloride Openeye Name: (8-methyl-8-azoniabicyclo[3.2.1]octan-3-yl) 2-(4-bromophenyl)prop-2-enoate chloride CAS Name: 2-(4-bromophenyl)-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) 2-(4-bromophenyl)prop-2-enoate chloride Traditional Name: 2-(4-bromophenyl)acrylic acid (8-methyl-8-azoniabicyclo[3.2.1]octan-3-yl) ester chloride Formula: C17H21BrClNO2 MolecularWeight: 386.71114

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H20BrNO2.ClH/c1-11(12-3-5-13(18)6-4-12)17(20)21-16-9-14-7-8-15(10-16)19(14)2;/h3-6,14-16H,1,7-10H2,2H3;1H