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

Systemtic Name: 4-oxidanylidene-N-pentyl-6,7,8,9-tetrahydro-1H-pyrimido[2,1-b][1,3]benzothiazol-5-ium-3-carboxamide Openeye Name: 4-oxo-N-pentyl-6,7,8,9-tetrahydro-1H-pyrimido[2,1-b][1,3]benzothiazol-5-ium-3-carboxamide CAS Name: 4-oxo-N-pentyl-6,7,8,9-tetrahydro-1H-pyrimido[2,1-b][1,3]benzothiazol-5-ium-3-carboxamide IUPAC Name: 4-oxo-N-pentyl-6,7,8,9-tetrahydro-1H-pyrimido[2,1-b][1,3]benzothiazol-5-ium-3-carboxamide Traditional Name: N-amyl-4-keto-6,7,8,9-tetrahydro-1H-pyrimido[2,1-b][1,3]benzothiazol-5-ium-3-carboxamide Formula: C16H22N3O2S+ MolecularWeight: 320.42978

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H21N3O2S/c1-2-3-6-9-17-14(20)11-10-18-16-19(15(11)21)12-7-4-5-8-13(12)22-16/h10H,2-9H2,1H3,(H,17,20)/p+1