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

Systemtic Name: (4-phenylmethoxyphenyl)methyl 2-pyridin-1-ium-1-ylethanoate Openeye Name: (4-benzyloxyphenyl)methyl 2-pyridin-1-ium-1-ylacetate CAS Name: 2-(1-pyridin-1-iumyl)acetic acid (4-phenylmethoxyphenyl)methyl ester IUPAC Name: (4-phenylmethoxyphenyl)methyl 2-pyridin-1-ium-1-ylacetate Traditional Name: 2-pyridin-1-ium-1-ylacetic acid (4-benzoxybenzyl) ester Formula: C21H20NO3+ MolecularWeight: 334.3884

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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

Isomeric SMILES

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

InChI

InChI=1S/C21H20NO3/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/q+1