6-oxidanylidene-1-(2-pyrrolidin-1-ium-1-ylethyl)pyridine-3-carboxylate

Systemtic Name: 6-oxidanylidene-1-(2-pyrrolidin-1-ium-1-ylethyl)pyridine-3-carboxylate Openeye Name: 6-oxo-1-(2-pyrrolidin-1-ium-1-ylethyl)pyridine-3-carboxylate CAS Name: 6-oxo-1-[2-(1-pyrrolidin-1-iumyl)ethyl]-3-pyridinecarboxylate IUPAC Name: 6-oxo-1-(2-pyrrolidin-1-ium-1-ylethyl)pyridine-3-carboxylate Traditional Name: 6-keto-1-(2-pyrrolidin-1-ium-1-ylethyl)nicotinate Formula: C12H16N2O3 MolecularWeight: 236.26704

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](C1)CCN2C=C(C=CC2=O)C(=O)[O-]

Isomeric SMILES

C1CC[NH+](C1)CCN2C=C(C=CC2=O)C(=O)[O-]

InChI

InChI=1S/C12H16N2O3/c15-11-4-3-10(12(16)17)9-14(11)8-7-13-5-1-2-6-13/h3-4,9H,1-2,5-8H2,(H,16,17)