2-[4-[(4-methylphenyl)methoxy]pyridin-1-ium-1-yl]ethanoate hydrate

Systemtic Name: 2-[4-[(4-methylphenyl)methoxy]pyridin-1-ium-1-yl]ethanoate hydrate Openeye Name: 2-[4-(p-tolylmethoxy)pyridin-1-ium-1-yl]acetate hydrate CAS Name: 2-[4-[(4-methylphenyl)methoxy]-1-pyridin-1-iumyl]acetate hydrate IUPAC Name: 2-[4-[(4-methylphenyl)methoxy]pyridin-1-ium-1-yl]acetate hydrate Traditional Name: 2-[4-(4-methylbenzyl)oxypyridin-1-ium-1-yl]acetate hydrate Formula: C15H17NO4 MolecularWeight: 275.29978

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)COC2=CC=[N+](C=C2)CC(=O)[O-].O

Isomeric SMILES

CC1=CC=C(C=C1)COC2=CC=[N+](C=C2)CC(=O)[O-].O

InChI

InChI=1S/C15H15NO3.H2O/c1-12-2-4-13(5-3-12)11-19-14-6-8-16(9-7-14)10-15(17)18;/h2-9H,10-11H2,1H3;1H2