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

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

Systemtic Name:6-oxidanylidene-1-(2-piperidin-1-ium-1-ylethyl)pyridine-3-carboxylate
Openeye Name:6-oxo-1-(2-piperidin-1-ium-1-ylethyl)pyridine-3-carboxylate
CAS Name:6-oxo-1-[2-(1-piperidin-1-iumyl)ethyl]-3-pyridinecarboxylate
IUPAC Name:6-oxo-1-(2-piperidin-1-ium-1-ylethyl)pyridine-3-carboxylate
Traditional Name:6-keto-1-(2-piperidin-1-ium-1-ylethyl)nicotinate
Formula: C13H18N2O3
MolecularWeight: 250.29362
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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](CC1)CCN2C=C(C=CC2=O)C(=O)[O-]


Isomeric SMILES

C1CC[NH+](CC1)CCN2C=C(C=CC2=O)C(=O)[O-]


InChI

InChI=1S/C13H18N2O3/c16-12-5-4-11(13(17)18)10-15(12)9-8-14-6-2-1-3-7-14/h4-5,10H,1-3,6-9H2,(H,17,18)


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