ethyl 2-(3-methyl-5-phenoxy-pyridin-1-ium-1-yl)ethanoate

Systemtic Name: ethyl 2-(3-methyl-5-phenoxy-pyridin-1-ium-1-yl)ethanoate Openeye Name: ethyl 2-(3-methyl-5-phenoxy-pyridin-1-ium-1-yl)acetate CAS Name: 2-(3-methyl-5-phenoxy-1-pyridin-1-iumyl)acetic acid ethyl ester IUPAC Name: ethyl 2-(3-methyl-5-phenoxypyridin-1-ium-1-yl)acetate Traditional Name: 2-(3-methyl-5-phenoxy-pyridin-1-ium-1-yl)acetic acid ethyl ester Formula: C16H18NO3+ MolecularWeight: 272.31902

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C[N+]1=CC(=CC(=C1)OC2=CC=CC=C2)C

Isomeric SMILES

CCOC(=O)C[N+]1=CC(=CC(=C1)OC2=CC=CC=C2)C

InChI

InChI=1S/C16H18NO3/c1-3-19-16(18)12-17-10-13(2)9-15(11-17)20-14-7-5-4-6-8-14/h4-11H,3,12H2,1-2H3/q+1