1-[6-(3-azaniumylpropanoylamino)pyridin-3-yl]piperidine-4-carboxylate

Systemtic Name: 1-[6-(3-azaniumylpropanoylamino)pyridin-3-yl]piperidine-4-carboxylate Openeye Name: 1-[6-(3-azaniumylpropanoylamino)-3-pyridyl]piperidine-4-carboxylate CAS Name: 1-[6-[(3-ammonio-1-oxopropyl)amino]-3-pyridinyl]-4-piperidinecarboxylate IUPAC Name: 1-[6-(3-azaniumylpropanoylamino)pyridin-3-yl]piperidine-4-carboxylate Traditional Name: 1-[6-(3-ammoniopropanoylamino)-3-pyridyl]isonipecotate Formula: C14H20N4O3 MolecularWeight: 292.3336

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)[O-])C2=CN=C(C=C2)NC(=O)CC[NH3+]

Isomeric SMILES

C1CN(CCC1C(=O)[O-])C2=CN=C(C=C2)NC(=O)CC[NH3+]

InChI

InChI=1S/C14H20N4O3/c15-6-3-13(19)17-12-2-1-11(9-16-12)18-7-4-10(5-8-18)14(20)21/h1-2,9-10H,3-8,15H2,(H,20,21)(H,16,17,19)