1-piperidin-1-ium-1-ylpropan-2-yl 2-(4-methoxyphenoxy)ethanoate chloride

Systemtic Name: 1-piperidin-1-ium-1-ylpropan-2-yl 2-(4-methoxyphenoxy)ethanoate chloride Openeye Name: (1-methyl-2-piperidin-1-ium-1-yl-ethyl) 2-(4-methoxyphenoxy)acetate chloride CAS Name: 2-(4-methoxyphenoxy)acetic acid 1-(1-piperidin-1-iumyl)propan-2-yl ester chloride IUPAC Name: 1-piperidin-1-ium-1-ylpropan-2-yl 2-(4-methoxyphenoxy)acetate chloride Traditional Name: 2-(4-methoxyphenoxy)acetic acid (1-methyl-2-piperidin-1-ium-1-yl-ethyl) ester chloride Formula: C17H26ClNO4 MolecularWeight: 343.84564

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Descriptors Computed from Structure

Canonical SMILES:

CC(C[NH+]1CCCCC1)OC(=O)COC2=CC=C(C=C2)OC.[Cl-]

Isomeric SMILES

CC(C[NH+]1CCCCC1)OC(=O)COC2=CC=C(C=C2)OC.[Cl-]

InChI

InChI=1S/C17H25NO4.ClH/c1-14(12-18-10-4-3-5-11-18)22-17(19)13-21-16-8-6-15(20-2)7-9-16;/h6-9,14H,3-5,10-13H2,1-2H3;1H