(1-methyl-1,2,3,6-tetrahydropyridin-1-ium-4-yl)methyl 2-cyclopropyl-2-oxidanyl-2-phenyl-ethanoate chloride

Systemtic Name: (1-methyl-1,2,3,6-tetrahydropyridin-1-ium-4-yl)methyl 2-cyclopropyl-2-oxidanyl-2-phenyl-ethanoate chloride Openeye Name: (1-methyl-1,2,3,6-tetrahydropyridin-1-ium-4-yl)methyl 2-cyclopropyl-2-hydroxy-2-phenyl-acetate chloride CAS Name: 2-cyclopropyl-2-hydroxy-2-phenylacetic acid (1-methyl-1,2,3,6-tetrahydropyridin-1-ium-4-yl)methyl ester chloride IUPAC Name: (1-methyl-1,2,3,6-tetrahydropyridin-1-ium-4-yl)methyl 2-cyclopropyl-2-hydroxy-2-phenylacetate chloride Traditional Name: 2-cyclopropyl-2-hydroxy-2-phenyl-acetic acid (1-methyl-1,2,3,6-tetrahydropyridin-1-ium-4-yl)methyl ester chloride Formula: C18H24ClNO3 MolecularWeight: 337.84106

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCC(=CC1)COC(=O)C(C2CC2)(C3=CC=CC=C3)O.[Cl-]

Isomeric SMILES

C[NH+]1CCC(=CC1)COC(=O)C(C2CC2)(C3=CC=CC=C3)O.[Cl-]

InChI

InChI=1S/C18H23NO3.ClH/c1-19-11-9-14(10-12-19)13-22-17(20)18(21,16-7-8-16)15-5-3-2-4-6-15;/h2-6,9,16,21H,7-8,10-13H2,1H3;1H