pyridin-1-ium-3-ylmethyl 2-[4-[(4-chlorophenyl)methyl]phenoxy]-2-methyl-butanoate chloride

Systemtic Name: pyridin-1-ium-3-ylmethyl 2-[4-[(4-chlorophenyl)methyl]phenoxy]-2-methyl-butanoate chloride Openeye Name: pyridin-1-ium-3-ylmethyl 2-[4-[(4-chlorophenyl)methyl]phenoxy]-2-methyl-butanoate chloride CAS Name: 2-[4-[(4-chlorophenyl)methyl]phenoxy]-2-methylbutanoic acid 3-pyridin-1-iumylmethyl ester chloride IUPAC Name: pyridin-1-ium-3-ylmethyl 2-[4-[(4-chlorophenyl)methyl]phenoxy]-2-methylbutanoate chloride Traditional Name: 2-[4-(4-chlorobenzyl)phenoxy]-2-methyl-butyric acid pyridin-1-ium-3-ylmethyl ester chloride Formula: C24H25Cl2NO3 MolecularWeight: 446.3662

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)(C(=O)OCC1=C[NH+]=CC=C1)OC2=CC=C(C=C2)CC3=CC=C(C=C3)Cl.[Cl-]

Isomeric SMILES

CCC(C)(C(=O)OCC1=C[NH+]=CC=C1)OC2=CC=C(C=C2)CC3=CC=C(C=C3)Cl.[Cl-]

InChI

InChI=1S/C24H24ClNO3.ClH/c1-3-24(2,23(27)28-17-20-5-4-14-26-16-20)29-22-12-8-19(9-13-22)15-18-6-10-21(25)11-7-18;/h4-14,16H,3,15,17H2,1-2H3;1H