2-pyridin-1-ium-1-ylethanoate hydrate hydrochloride

Systemtic Name: 2-pyridin-1-ium-1-ylethanoate hydrate hydrochloride Openeye Name: 2-pyridin-1-ium-1-ylacetate hydrate hydrochloride CAS Name: 2-(1-pyridin-1-iumyl)acetate hydrate hydrochloride IUPAC Name: 2-pyridin-1-ium-1-ylacetate hydrate hydrochloride Traditional Name: 2-pyridin-1-ium-1-ylacetate hydrate hydrochloride Formula: C14H17ClN2O5 MolecularWeight: 328.74818

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=[N+](C=C1)CC(=O)[O-].C1=CC=[N+](C=C1)CC(=O)[O-].O.Cl

Isomeric SMILES

C1=CC=[N+](C=C1)CC(=O)[O-].C1=CC=[N+](C=C1)CC(=O)[O-].O.Cl

InChI

InChI=1S/2C7H7NO2.ClH.H2O/c2*9-7(10)6-8-4-2-1-3-5-8;;/h2*1-5H,6H2;1H;1H2