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

Systemtic Name: 4-oxidanylidene-N-propyl-6,7,8,9-tetrahydro-1H-pyrimido[2,1-b][1,3]benzothiazol-5-ium-3-carboxamide Openeye Name: 4-oxo-N-propyl-6,7,8,9-tetrahydro-1H-pyrimido[2,1-b][1,3]benzothiazol-5-ium-3-carboxamide CAS Name: 4-oxo-N-propyl-6,7,8,9-tetrahydro-1H-pyrimido[2,1-b][1,3]benzothiazol-5-ium-3-carboxamide IUPAC Name: 4-oxo-N-propyl-6,7,8,9-tetrahydro-1H-pyrimido[2,1-b][1,3]benzothiazol-5-ium-3-carboxamide Traditional Name: 4-keto-N-propyl-6,7,8,9-tetrahydro-1H-pyrimido[2,1-b][1,3]benzothiazol-5-ium-3-carboxamide Formula: C14H18N3O2S+ MolecularWeight: 292.37662

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Descriptors Computed from Structure

Canonical SMILES:

CCCNC(=O)C1=CNC2=[N+](C1=O)C3=C(S2)CCCC3

Isomeric SMILES

CCCNC(=O)C1=CNC2=[N+](C1=O)C3=C(S2)CCCC3

InChI

InChI=1S/C14H17N3O2S/c1-2-7-15-12(18)9-8-16-14-17(13(9)19)10-5-3-4-6-11(10)20-14/h8H,2-7H2,1H3,(H,15,18)/p+1