N-[4-(1-adamantyl)-1,3-thiazol-2-yl]-4-oxidanylidene-1H-pyrido[1,2-a]pyrimidin-5-ium-3-carboxamide

Systemtic Name: N-[4-(1-adamantyl)-1,3-thiazol-2-yl]-4-oxidanylidene-1H-pyrido[1,2-a]pyrimidin-5-ium-3-carboxamide Openeye Name: N-[4-(1-adamantyl)thiazol-2-yl]-4-oxo-1H-pyrido[1,2-a]pyrimidin-5-ium-3-carboxamide CAS Name: N-[4-(1-adamantyl)-2-thiazolyl]-4-oxo-1H-pyrido[1,2-a]pyrimidin-5-ium-3-carboxamide IUPAC Name: N-[4-(1-adamantyl)-1,3-thiazol-2-yl]-4-oxo-1H-pyrido[1,2-a]pyrimidin-5-ium-3-carboxamide Traditional Name: N-[4-(1-adamantyl)thiazol-2-yl]-4-keto-1H-pyrido[1,2-a]pyrimidin-5-ium-3-carboxamide Formula: C22H23N4O2S+ MolecularWeight: 407.50862

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)C4=CSC(=N4)NC(=O)C5=CNC6=CC=CC=[N+]6C5=O

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)C4=CSC(=N4)NC(=O)C5=CNC6=CC=CC=[N+]6C5=O

InChI

InChI=1S/C22H22N4O2S/c27-19(16-11-23-18-3-1-2-4-26(18)20(16)28)25-21-24-17(12-29-21)22-8-13-5-14(9-22)7-15(6-13)10-22/h1-4,11-15H,5-10H2,(H,24,25,27)/p+1