(8-methyl-8-oxidanidyl-8-azoniabicyclo[3.2.1]octan-3-yl) 2-phenylprop-2-enoate hydrochloride

Systemtic Name: (8-methyl-8-oxidanidyl-8-azoniabicyclo[3.2.1]octan-3-yl) 2-phenylprop-2-enoate hydrochloride Openeye Name: (8-methyl-8-oxido-8-azoniabicyclo[3.2.1]octan-3-yl) 2-phenylprop-2-enoate hydrochloride CAS Name: 2-phenyl-2-propenoic acid (8-methyl-8-oxido-8-azoniabicyclo[3.2.1]octan-3-yl) ester hydrochloride IUPAC Name: (8-methyl-8-oxido-8-azoniabicyclo[3.2.1]octan-3-yl) 2-phenylprop-2-enoate hydrochloride Traditional Name: 2-phenylacrylic acid (8-methyl-8-oxido-8-azoniabicyclo[3.2.1]octan-3-yl) ester hydrochloride Formula: C17H22ClNO3 MolecularWeight: 323.81448

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H21NO3.ClH/c1-12(13-6-4-3-5-7-13)17(19)21-16-10-14-8-9-15(11-16)18(14,2)20;/h3-7,14-16H,1,8-11H2,2H3;1H