(4-phenylmethoxyphenyl)methyl 2-pyridin-1-ium-1-ylethanoate bromide

Systemtic Name: (4-phenylmethoxyphenyl)methyl 2-pyridin-1-ium-1-ylethanoate bromide Openeye Name: (4-benzyloxyphenyl)methyl 2-pyridin-1-ium-1-ylacetate bromide CAS Name: 2-(1-pyridin-1-iumyl)acetic acid (4-phenylmethoxyphenyl)methyl ester bromide IUPAC Name: (4-phenylmethoxyphenyl)methyl 2-pyridin-1-ium-1-ylacetate bromide Traditional Name: 2-pyridin-1-ium-1-ylacetic acid (4-benzoxybenzyl) ester bromide Formula: C21H20BrNO3 MolecularWeight: 414.2924

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COC2=CC=C(C=C2)COC(=O)C[N+]3=CC=CC=C3.[Br-]

Isomeric SMILES

C1=CC=C(C=C1)COC2=CC=C(C=C2)COC(=O)C[N+]3=CC=CC=C3.[Br-]

InChI

InChI=1S/C21H20NO3.BrH/c23-21(15-22-13-5-2-6-14-22)25-17-19-9-11-20(12-10-19)24-16-18-7-3-1-4-8-18;/h1-14H,15-17H2;1H/q+1;/p-1