2-piperidin-1-ium-4-ylpteridin-4-olate

Systemtic Name: 2-piperidin-1-ium-4-ylpteridin-4-olate Openeye Name: 2-piperidin-1-ium-4-ylpteridin-4-olate CAS Name: 2-(4-piperidin-1-iumyl)-4-pteridinolate IUPAC Name: 2-piperidin-1-ium-4-ylpteridin-4-olate Traditional Name: 2-piperidin-1-ium-4-ylpteridin-4-olate Formula: C11H13N5O MolecularWeight: 231.25382

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH2+]CCC1C2=NC3=NC=CN=C3C(=N2)[O-]

Isomeric SMILES

C1C[NH2+]CCC1C2=NC3=NC=CN=C3C(=N2)[O-]

InChI

InChI=1S/C11H13N5O/c17-11-8-10(14-6-5-13-8)15-9(16-11)7-1-3-12-4-2-7/h5-7,12H,1-4H2,(H,14,15,16,17)