N-cyclooctyl-3-(4-methylphenyl)-5-oxidanylidene-8H-[1,3]thiazolo[3,2-a]pyrimidin-4-ium-6-carboxamide

Systemtic Name: N-cyclooctyl-3-(4-methylphenyl)-5-oxidanylidene-8H-[1,3]thiazolo[3,2-a]pyrimidin-4-ium-6-carboxamide Openeye Name: N-cyclooctyl-5-oxo-3-(p-tolyl)-8H-thiazolo[3,2-a]pyrimidin-4-ium-6-carboxamide CAS Name: N-cyclooctyl-3-(4-methylphenyl)-5-oxo-8H-thiazolo[3,2-a]pyrimidin-4-ium-6-carboxamide IUPAC Name: N-cyclooctyl-3-(4-methylphenyl)-5-oxo-8H-[1,3]thiazolo[3,2-a]pyrimidin-4-ium-6-carboxamide Traditional Name: N-cyclooctyl-5-keto-3-(p-tolyl)-8H-thiazolo[3,2-a]pyrimidin-4-ium-6-carboxamide Formula: C22H26N3O2S+ MolecularWeight: 396.52574

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=CSC3=[N+]2C(=O)C(=CN3)C(=O)NC4CCCCCCC4

Isomeric SMILES

CC1=CC=C(C=C1)C2=CSC3=[N+]2C(=O)C(=CN3)C(=O)NC4CCCCCCC4

InChI

InChI=1S/C22H25N3O2S/c1-15-9-11-16(12-10-15)19-14-28-22-23-13-18(21(27)25(19)22)20(26)24-17-7-5-3-2-4-6-8-17/h9-14,17H,2-8H2,1H3,(H,24,26)/p+1