4-[(4-methylphenyl)methyl]-1-[2-(4-phenylmethoxyphenoxy)ethyl]piperidin-1-ium chloride

Systemtic Name: 4-[(4-methylphenyl)methyl]-1-[2-(4-phenylmethoxyphenoxy)ethyl]piperidin-1-ium chloride Openeye Name: 1-[2-(4-benzyloxyphenoxy)ethyl]-4-(p-tolylmethyl)piperidin-1-ium chloride CAS Name: 4-[(4-methylphenyl)methyl]-1-[2-(4-phenylmethoxyphenoxy)ethyl]piperidin-1-ium chloride IUPAC Name: 4-[(4-methylphenyl)methyl]-1-[2-(4-phenylmethoxyphenoxy)ethyl]piperidin-1-ium chloride Traditional Name: 1-[2-(4-benzoxyphenoxy)ethyl]-4-(4-methylbenzyl)piperidin-1-ium chloride Formula: C28H34ClNO2 MolecularWeight: 452.02806

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CC2CC[NH+](CC2)CCOC3=CC=C(C=C3)OCC4=CC=CC=C4.[Cl-]

Isomeric SMILES

CC1=CC=C(C=C1)CC2CC[NH+](CC2)CCOC3=CC=C(C=C3)OCC4=CC=CC=C4.[Cl-]

InChI

InChI=1S/C28H33NO2.ClH/c1-23-7-9-24(10-8-23)21-25-15-17-29(18-16-25)19-20-30-27-11-13-28(14-12-27)31-22-26-5-3-2-4-6-26;/h2-14,25H,15-22H2,1H3;1H