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

Systemtic Name: N-butyl-4-oxidanylidene-6,7,8,9-tetrahydro-1H-pyrimido[2,1-b][1,3]benzothiazol-5-ium-3-carboxamide Openeye Name: N-butyl-4-oxo-6,7,8,9-tetrahydro-1H-pyrimido[2,1-b][1,3]benzothiazol-5-ium-3-carboxamide CAS Name: N-butyl-4-oxo-6,7,8,9-tetrahydro-1H-pyrimido[2,1-b][1,3]benzothiazol-5-ium-3-carboxamide IUPAC Name: N-butyl-4-oxo-6,7,8,9-tetrahydro-1H-pyrimido[2,1-b][1,3]benzothiazol-5-ium-3-carboxamide Traditional Name: N-butyl-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:

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

Isomeric SMILES

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

InChI

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