(1-methylpiperidin-1-ium-4-yl) 2,2-bis(4-chloranylphenoxy)ethanoate

Systemtic Name: (1-methylpiperidin-1-ium-4-yl) 2,2-bis(4-chloranylphenoxy)ethanoate Openeye Name: (1-methylpiperidin-1-ium-4-yl) 2,2-bis(4-chlorophenoxy)acetate CAS Name: 2,2-bis(4-chlorophenoxy)acetic acid (1-methyl-4-piperidin-1-iumyl) ester IUPAC Name: (1-methylpiperidin-1-ium-4-yl) 2,2-bis(4-chlorophenoxy)acetate Traditional Name: 2,2-bis(4-chlorophenoxy)acetic acid (1-methylpiperidin-1-ium-4-yl) ester Formula: C20H22Cl2NO4+ MolecularWeight: 411.29898

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCC(CC1)OC(=O)C(OC2=CC=C(C=C2)Cl)OC3=CC=C(C=C3)Cl

Isomeric SMILES

C[NH+]1CCC(CC1)OC(=O)C(OC2=CC=C(C=C2)Cl)OC3=CC=C(C=C3)Cl

InChI

InChI=1S/C20H21Cl2NO4/c1-23-12-10-18(11-13-23)25-19(24)20(26-16-6-2-14(21)3-7-16)27-17-8-4-15(22)5-9-17/h2-9,18,20H,10-13H2,1H3/p+1