1-[6-(2-azaniumylethanoylamino)pyridin-3-yl]piperidine-4-carboxylate

Systemtic Name: 1-[6-(2-azaniumylethanoylamino)pyridin-3-yl]piperidine-4-carboxylate Openeye Name: 1-[6-[(2-azaniumylacetyl)amino]-3-pyridyl]piperidine-4-carboxylate CAS Name: 1-[6-[(2-ammonio-1-oxoethyl)amino]-3-pyridinyl]-4-piperidinecarboxylate IUPAC Name: 1-[6-[(2-azaniumylacetyl)amino]pyridin-3-yl]piperidine-4-carboxylate Traditional Name: 1-[6-[(2-ammonioacetyl)amino]-3-pyridyl]isonipecotate Formula: C13H18N4O3 MolecularWeight: 278.30702

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H18N4O3/c14-7-12(18)16-11-2-1-10(8-15-11)17-5-3-9(4-6-17)13(19)20/h1-2,8-9H,3-7,14H2,(H,19,20)(H,15,16,18)