(3S)-3-azaniumyl-3-(2-piperidin-1-ylpyrimidin-5-yl)propanoate

Systemtic Name: (3S)-3-azaniumyl-3-(2-piperidin-1-ylpyrimidin-5-yl)propanoate Openeye Name: (3S)-3-azaniumyl-3-[2-(1-piperidyl)pyrimidin-5-yl]propanoate CAS Name: (3S)-3-ammonio-3-[2-(1-piperidinyl)-5-pyrimidinyl]propanoate IUPAC Name: (3S)-3-azaniumyl-3-(2-piperidin-1-ylpyrimidin-5-yl)propanoate Traditional Name: (3S)-3-ammonio-3-(2-piperidinopyrimidin-5-yl)propionate Formula: C12H18N4O2 MolecularWeight: 250.29692

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)C2=NC=C(C=N2)C(CC(=O)[O-])[NH3+]

Isomeric SMILES

C1CCN(CC1)C2=NC=C(C=N2)[C@H](CC(=O)[O-])[NH3+]

InChI

InChI=1S/C12H18N4O2/c13-10(6-11(17)18)9-7-14-12(15-8-9)16-4-2-1-3-5-16/h7-8,10H,1-6,13H2,(H,17,18)/t10-/m0/s1