(1,2,5-trimethyl-4-phenyl-piperidin-1-ium-4-yl) 2-phenoxyethanoate chloride

Systemtic Name: (1,2,5-trimethyl-4-phenyl-piperidin-1-ium-4-yl) 2-phenoxyethanoate chloride Openeye Name: (1,2,5-trimethyl-4-phenyl-piperidin-1-ium-4-yl) 2-phenoxyacetate chloride CAS Name: 2-phenoxyacetic acid (1,2,5-trimethyl-4-phenyl-4-piperidin-1-iumyl) ester chloride IUPAC Name: (1,2,5-trimethyl-4-phenylpiperidin-1-ium-4-yl) 2-phenoxyacetate chloride Traditional Name: 2-phenoxyacetic acid (1,2,5-trimethyl-4-phenyl-piperidin-1-ium-4-yl) ester chloride Formula: C22H28ClNO3 MolecularWeight: 389.91562

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC(C(C[NH+]1C)C)(C2=CC=CC=C2)OC(=O)COC3=CC=CC=C3.[Cl-]

Isomeric SMILES

CC1CC(C(C[NH+]1C)C)(C2=CC=CC=C2)OC(=O)COC3=CC=CC=C3.[Cl-]

InChI

InChI=1S/C22H27NO3.ClH/c1-17-15-23(3)18(2)14-22(17,19-10-6-4-7-11-19)26-21(24)16-25-20-12-8-5-9-13-20;/h4-13,17-18H,14-16H2,1-3H3;1H