1-[5-(4-azaniumylbutanoylamino)pyridin-2-yl]piperidine-4-carboxylate

Systemtic Name: 1-[5-(4-azaniumylbutanoylamino)pyridin-2-yl]piperidine-4-carboxylate Openeye Name: 1-[5-(4-azaniumylbutanoylamino)-2-pyridyl]piperidine-4-carboxylate CAS Name: 1-[5-[(4-ammonio-1-oxobutyl)amino]-2-pyridinyl]-4-piperidinecarboxylate IUPAC Name: 1-[5-(4-azaniumylbutanoylamino)pyridin-2-yl]piperidine-4-carboxylate Traditional Name: 1-[5-(4-ammoniobutanoylamino)-2-pyridyl]isonipecotate Formula: C15H22N4O3 MolecularWeight: 306.36018

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H22N4O3/c16-7-1-2-14(20)18-12-3-4-13(17-10-12)19-8-5-11(6-9-19)15(21)22/h3-4,10-11H,1-2,5-9,16H2,(H,18,20)(H,21,22)