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

Systemtic Name: (1,4-dimethyl-1,2,3,6-tetrahydropyridin-1-ium-3-yl)methyl 2-cyclobutyl-2-oxidanyl-2-phenyl-ethanoate chloride Openeye Name: (1,4-dimethyl-1,2,3,6-tetrahydropyridin-1-ium-3-yl)methyl 2-cyclobutyl-2-hydroxy-2-phenyl-acetate chloride CAS Name: 2-cyclobutyl-2-hydroxy-2-phenylacetic acid (1,4-dimethyl-1,2,3,6-tetrahydropyridin-1-ium-3-yl)methyl ester chloride IUPAC Name: (1,4-dimethyl-1,2,3,6-tetrahydropyridin-1-ium-3-yl)methyl 2-cyclobutyl-2-hydroxy-2-phenylacetate chloride Traditional Name: 2-cyclobutyl-2-hydroxy-2-phenyl-acetic acid (1,4-dimethyl-1,2,3,6-tetrahydropyridin-1-ium-3-yl)methyl ester chloride Formula: C20H28ClNO3 MolecularWeight: 365.89422

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC[NH+](CC1COC(=O)C(C2CCC2)(C3=CC=CC=C3)O)C.[Cl-]

Isomeric SMILES

CC1=CC[NH+](CC1COC(=O)C(C2CCC2)(C3=CC=CC=C3)O)C.[Cl-]

InChI

InChI=1S/C20H27NO3.ClH/c1-15-11-12-21(2)13-16(15)14-24-19(22)20(23,18-9-6-10-18)17-7-4-3-5-8-17;/h3-5,7-8,11,16,18,23H,6,9-10,12-14H2,1-2H3;1H