7-oxidanylidene-2-(2-piperidin-1-ium-1-ylethylamino)-4H-[1,3]thiazolo[4,5-b]pyridin-5-olate

Systemtic Name: 7-oxidanylidene-2-(2-piperidin-1-ium-1-ylethylamino)-4H-[1,3]thiazolo[4,5-b]pyridin-5-olate Openeye Name: 7-oxo-2-(2-piperidin-1-ium-1-ylethylamino)-4H-thiazolo[4,5-b]pyridin-5-olate CAS Name: 7-oxo-2-[2-(1-piperidin-1-iumyl)ethylamino]-4H-thiazolo[4,5-b]pyridin-5-olate IUPAC Name: 7-oxo-2-(2-piperidin-1-ium-1-ylethylamino)-4H-[1,3]thiazolo[4,5-b]pyridin-5-olate Traditional Name: 7-keto-2-(2-piperidin-1-ium-1-ylethylamino)-4H-thiazolo[4,5-b]pyridin-5-olate Formula: C13H18N4O2S MolecularWeight: 294.37262

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](CC1)CCNC2=NC3=C(S2)C(=O)C=C(N3)[O-]

Isomeric SMILES

C1CC[NH+](CC1)CCNC2=NC3=C(S2)C(=O)C=C(N3)[O-]

InChI

InChI=1S/C13H18N4O2S/c18-9-8-10(19)15-12-11(9)20-13(16-12)14-4-7-17-5-2-1-3-6-17/h8H,1-7H2,(H3,14,15,16,18,19)