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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)C2=CN=C(C=C2)NC(=O)C[NH3+])C(=O)[O-]

Isomeric SMILES

C1C[C@@H](CN(C1)C2=CN=C(C=C2)NC(=O)C[NH3+])C(=O)[O-]

InChI

InChI=1S/C13H18N4O3/c14-6-12(18)16-11-4-3-10(7-15-11)17-5-1-2-9(8-17)13(19)20/h3-4,7,9H,1-2,5-6,8,14H2,(H,19,20)(H,15,16,18)/t9-/m0/s1