3-butyl-4-oxidanyl-1H-pyrimido[2,1-b][1,3]benzothiazol-5-ium-2-one

Systemtic Name: 3-butyl-4-oxidanyl-1H-pyrimido[2,1-b][1,3]benzothiazol-5-ium-2-one Openeye Name: 3-butyl-4-hydroxy-1H-pyrimido[2,1-b][1,3]benzothiazol-5-ium-2-one CAS Name: 3-butyl-4-hydroxy-1H-pyrimido[2,1-b][1,3]benzothiazol-5-ium-2-one IUPAC Name: 3-butyl-4-hydroxy-1H-pyrimido[2,1-b][1,3]benzothiazol-5-ium-2-one Traditional Name: 3-butyl-4-hydroxy-1H-pyrimido[2,1-b][1,3]benzothiazol-5-ium-2-one Formula: C14H15N2O2S+ MolecularWeight: 275.3461

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=C([N+]2=C(NC1=O)SC3=CC=CC=C32)O

Isomeric SMILES

CCCCC1=C([N+]2=C(NC1=O)SC3=CC=CC=C32)O

InChI

InChI=1S/C14H14N2O2S/c1-2-3-6-9-12(17)15-14-16(13(9)18)10-7-4-5-8-11(10)19-14/h4-5,7-8H,2-3,6H2,1H3,(H,17,18)/p+1