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

Systemtic Name: 8-methoxy-4-oxidanyl-3-propyl-1H-pyrimido[2,1-b][1,3]benzothiazol-5-ium-2-one Openeye Name: 4-hydroxy-8-methoxy-3-propyl-1H-pyrimido[2,1-b][1,3]benzothiazol-5-ium-2-one CAS Name: 4-hydroxy-8-methoxy-3-propyl-1H-pyrimido[2,1-b][1,3]benzothiazol-5-ium-2-one IUPAC Name: 4-hydroxy-8-methoxy-3-propyl-1H-pyrimido[2,1-b][1,3]benzothiazol-5-ium-2-one Traditional Name: 4-hydroxy-8-methoxy-3-propyl-1H-pyrimido[2,1-b][1,3]benzothiazol-5-ium-2-one Formula: C14H15N2O3S+ MolecularWeight: 291.3455

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C([N+]2=C(NC1=O)SC3=C2C=CC(=C3)OC)O

Isomeric SMILES

CCCC1=C([N+]2=C(NC1=O)SC3=C2C=CC(=C3)OC)O

InChI

InChI=1S/C14H14N2O3S/c1-3-4-9-12(17)15-14-16(13(9)18)10-6-5-8(19-2)7-11(10)20-14/h5-7H,3-4H2,1-2H3,(H,17,18)/p+1