2-[1-[2-(3-methylphenoxy)ethyl]pyridin-1-ium-3-yl]ethanoic acid

Systemtic Name: 2-[1-[2-(3-methylphenoxy)ethyl]pyridin-1-ium-3-yl]ethanoic acid Openeye Name: 2-[1-[2-(3-methylphenoxy)ethyl]pyridin-1-ium-3-yl]acetic acid CAS Name: 2-[1-[2-(3-methylphenoxy)ethyl]-3-pyridin-1-iumyl]acetic acid IUPAC Name: 2-[1-[2-(3-methylphenoxy)ethyl]pyridin-1-ium-3-yl]acetic acid Traditional Name: 2-[1-[2-(3-methylphenoxy)ethyl]pyridin-1-ium-3-yl]acetic acid Formula: C16H18NO3+ MolecularWeight: 272.31902

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)OCC[N+]2=CC=CC(=C2)CC(=O)O

Isomeric SMILES

CC1=CC(=CC=C1)OCC[N+]2=CC=CC(=C2)CC(=O)O

InChI

InChI=1S/C16H17NO3/c1-13-4-2-6-15(10-13)20-9-8-17-7-3-5-14(12-17)11-16(18)19/h2-7,10,12H,8-9,11H2,1H3/p+1