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

Systemtic Name: 5-oxidanylidene-3-phenyl-N-(3-propan-2-yloxypropyl)-8H-[1,3]thiazolo[3,2-a]pyrimidin-4-ium-6-carboxamide Openeye Name: N-(3-isopropoxypropyl)-5-oxo-3-phenyl-8H-thiazolo[3,2-a]pyrimidin-4-ium-6-carboxamide CAS Name: 5-oxo-3-phenyl-N-(3-propan-2-yloxypropyl)-8H-thiazolo[3,2-a]pyrimidin-4-ium-6-carboxamide IUPAC Name: 5-oxo-3-phenyl-N-(3-propan-2-yloxypropyl)-8H-[1,3]thiazolo[3,2-a]pyrimidin-4-ium-6-carboxamide Traditional Name: N-(3-isopropoxypropyl)-5-keto-3-phenyl-8H-thiazolo[3,2-a]pyrimidin-4-ium-6-carboxamide Formula: C19H22N3O3S+ MolecularWeight: 372.46128

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OCCCNC(=O)C1=CNC2=[N+](C1=O)C(=CS2)C3=CC=CC=C3

Isomeric SMILES

CC(C)OCCCNC(=O)C1=CNC2=[N+](C1=O)C(=CS2)C3=CC=CC=C3

InChI

InChI=1S/C19H21N3O3S/c1-13(2)25-10-6-9-20-17(23)15-11-21-19-22(18(15)24)16(12-26-19)14-7-4-3-5-8-14/h3-5,7-8,11-13H,6,9-10H2,1-2H3,(H,20,23)/p+1