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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H20N4O3/c15-6-5-13(19)17-12-4-3-11(8-16-12)18-7-1-2-10(9-18)14(20)21/h3-4,8,10H,1-2,5-7,9,15H2,(H,20,21)(H,16,17,19)/t10-/m0/s1