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

Systemtic Name: N,N-diethyl-4-oxidanylidene-6,7,8,9-tetrahydro-1H-pyrimido[2,1-b][1,3]benzothiazol-5-ium-3-carboxamide Openeye Name: N,N-diethyl-4-oxo-6,7,8,9-tetrahydro-1H-pyrimido[2,1-b][1,3]benzothiazol-5-ium-3-carboxamide CAS Name: N,N-diethyl-4-oxo-6,7,8,9-tetrahydro-1H-pyrimido[2,1-b][1,3]benzothiazol-5-ium-3-carboxamide IUPAC Name: N,N-diethyl-4-oxo-6,7,8,9-tetrahydro-1H-pyrimido[2,1-b][1,3]benzothiazol-5-ium-3-carboxamide Traditional Name: N,N-diethyl-4-keto-6,7,8,9-tetrahydro-1H-pyrimido[2,1-b][1,3]benzothiazol-5-ium-3-carboxamide Formula: C15H20N3O2S+ MolecularWeight: 306.4032

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H19N3O2S/c1-3-17(4-2)13(19)10-9-16-15-18(14(10)20)11-7-5-6-8-12(11)21-15/h9H,3-8H2,1-2H3/p+1