N-cyclooctyl-4-oxidanylidene-6,7,8,9-tetrahydro-1H-pyrimido[2,1-b][1,3]benzothiazol-5-ium-3-carboxamide

Systemtic Name: N-cyclooctyl-4-oxidanylidene-6,7,8,9-tetrahydro-1H-pyrimido[2,1-b][1,3]benzothiazol-5-ium-3-carboxamide Openeye Name: N-cyclooctyl-4-oxo-6,7,8,9-tetrahydro-1H-pyrimido[2,1-b][1,3]benzothiazol-5-ium-3-carboxamide CAS Name: N-cyclooctyl-4-oxo-6,7,8,9-tetrahydro-1H-pyrimido[2,1-b][1,3]benzothiazol-5-ium-3-carboxamide IUPAC Name: N-cyclooctyl-4-oxo-6,7,8,9-tetrahydro-1H-pyrimido[2,1-b][1,3]benzothiazol-5-ium-3-carboxamide Traditional Name: N-cyclooctyl-4-keto-6,7,8,9-tetrahydro-1H-pyrimido[2,1-b][1,3]benzothiazol-5-ium-3-carboxamide Formula: C19H26N3O2S+ MolecularWeight: 360.49364

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCC(CCC1)NC(=O)C2=CNC3=[N+](C2=O)C4=C(S3)CCCC4

Isomeric SMILES

C1CCCC(CCC1)NC(=O)C2=CNC3=[N+](C2=O)C4=C(S3)CCCC4

InChI

InChI=1S/C19H25N3O2S/c23-17(21-13-8-4-2-1-3-5-9-13)14-12-20-19-22(18(14)24)15-10-6-7-11-16(15)25-19/h12-13H,1-11H2,(H,21,23)/p+1