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

Systemtic Name: (1-methyl-1,2,3,6-tetrahydropyridin-1-ium-4-yl)methyl 2-cyclobutyl-2-oxidanyl-2-phenyl-ethanoate chloride Openeye Name: (1-methyl-1,2,3,6-tetrahydropyridin-1-ium-4-yl)methyl 2-cyclobutyl-2-hydroxy-2-phenyl-acetate chloride CAS Name: 2-cyclobutyl-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-cyclobutyl-2-hydroxy-2-phenylacetate chloride Traditional Name: 2-cyclobutyl-2-hydroxy-2-phenyl-acetic acid (1-methyl-1,2,3,6-tetrahydropyridin-1-ium-4-yl)methyl ester chloride Formula: C19H26ClNO3 MolecularWeight: 351.86764

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCC(=CC1)COC(=O)C(C2CCC2)(C3=CC=CC=C3)O.[Cl-]

Isomeric SMILES

C[NH+]1CCC(=CC1)COC(=O)C(C2CCC2)(C3=CC=CC=C3)O.[Cl-]

InChI

InChI=1S/C19H25NO3.ClH/c1-20-12-10-15(11-13-20)14-23-18(21)19(22,17-8-5-9-17)16-6-3-2-4-7-16;/h2-4,6-7,10,17,22H,5,8-9,11-14H2,1H3;1H