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

Systemtic Name: 3-hexyl-8-methoxy-4-oxidanyl-1H-pyrimido[2,1-b][1,3]benzothiazol-5-ium-2-one Openeye Name: 3-hexyl-4-hydroxy-8-methoxy-1H-pyrimido[2,1-b][1,3]benzothiazol-5-ium-2-one CAS Name: 3-hexyl-4-hydroxy-8-methoxy-1H-pyrimido[2,1-b][1,3]benzothiazol-5-ium-2-one IUPAC Name: 3-hexyl-4-hydroxy-8-methoxy-1H-pyrimido[2,1-b][1,3]benzothiazol-5-ium-2-one Traditional Name: 3-hexyl-4-hydroxy-8-methoxy-1H-pyrimido[2,1-b][1,3]benzothiazol-5-ium-2-one Formula: C17H21N2O3S+ MolecularWeight: 333.42524

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC1=C([N+]2=C(NC1=O)SC3=C2C=CC(=C3)OC)O

Isomeric SMILES

CCCCCCC1=C([N+]2=C(NC1=O)SC3=C2C=CC(=C3)OC)O

InChI

InChI=1S/C17H20N2O3S/c1-3-4-5-6-7-12-15(20)18-17-19(16(12)21)13-9-8-11(22-2)10-14(13)23-17/h8-10H,3-7H2,1-2H3,(H,20,21)/p+1