(1-methylpiperidin-1-ium-2-yl)methyl 2-cyclopentyl-2-oxidanyl-2-phenyl-ethanoate chloride

Systemtic Name: (1-methylpiperidin-1-ium-2-yl)methyl 2-cyclopentyl-2-oxidanyl-2-phenyl-ethanoate chloride Openeye Name: (1-methylpiperidin-1-ium-2-yl)methyl 2-cyclopentyl-2-hydroxy-2-phenyl-acetate chloride CAS Name: 2-cyclopentyl-2-hydroxy-2-phenylacetic acid (1-methyl-2-piperidin-1-iumyl)methyl ester chloride IUPAC Name: (1-methylpiperidin-1-ium-2-yl)methyl 2-cyclopentyl-2-hydroxy-2-phenylacetate chloride Traditional Name: 2-cyclopentyl-2-hydroxy-2-phenyl-acetic acid (1-methylpiperidin-1-ium-2-yl)methyl ester chloride Formula: C20H30ClNO3 MolecularWeight: 367.9101

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCCCC1COC(=O)C(C2CCCC2)(C3=CC=CC=C3)O.[Cl-]

Isomeric SMILES

C[NH+]1CCCCC1COC(=O)C(C2CCCC2)(C3=CC=CC=C3)O.[Cl-]

InChI

InChI=1S/C20H29NO3.ClH/c1-21-14-8-7-13-18(21)15-24-19(22)20(23,17-11-5-6-12-17)16-9-3-2-4-10-16;/h2-4,9-10,17-18,23H,5-8,11-15H2,1H3;1H