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

Systemtic Name: N-cyclohexyl-4-oxidanylidene-6,7,8,9-tetrahydro-1H-pyrimido[2,1-b][1,3]benzothiazol-5-ium-3-carboxamide Openeye Name: N-cyclohexyl-4-oxo-6,7,8,9-tetrahydro-1H-pyrimido[2,1-b][1,3]benzothiazol-5-ium-3-carboxamide CAS Name: N-cyclohexyl-4-oxo-6,7,8,9-tetrahydro-1H-pyrimido[2,1-b][1,3]benzothiazol-5-ium-3-carboxamide IUPAC Name: N-cyclohexyl-4-oxo-6,7,8,9-tetrahydro-1H-pyrimido[2,1-b][1,3]benzothiazol-5-ium-3-carboxamide Traditional Name: N-cyclohexyl-4-keto-6,7,8,9-tetrahydro-1H-pyrimido[2,1-b][1,3]benzothiazol-5-ium-3-carboxamide Formula: C17H22N3O2S+ MolecularWeight: 332.44048

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)NC(=O)C2=CNC3=[N+](C2=O)C4=C(S3)CCCC4

Isomeric SMILES

C1CCC(CC1)NC(=O)C2=CNC3=[N+](C2=O)C4=C(S3)CCCC4

InChI

InChI=1S/C17H21N3O2S/c21-15(19-11-6-2-1-3-7-11)12-10-18-17-20(16(12)22)13-8-4-5-9-14(13)23-17/h10-11H,1-9H2,(H,19,21)/p+1