2-[[2-(1,3-benzothiazol-2-yl)phenoxy]methyl]-9-methyl-1H-pyrido[1,2-a]pyrimidin-5-ium-4-one

Systemtic Name: 2-[[2-(1,3-benzothiazol-2-yl)phenoxy]methyl]-9-methyl-1H-pyrido[1,2-a]pyrimidin-5-ium-4-one Openeye Name: 2-[[2-(1,3-benzothiazol-2-yl)phenoxy]methyl]-9-methyl-1H-pyrido[1,2-a]pyrimidin-5-ium-4-one CAS Name: 2-[[2-(1,3-benzothiazol-2-yl)phenoxy]methyl]-9-methyl-1H-pyrido[1,2-a]pyrimidin-5-ium-4-one IUPAC Name: 2-[[2-(1,3-benzothiazol-2-yl)phenoxy]methyl]-9-methyl-1H-pyrido[1,2-a]pyrimidin-5-ium-4-one Traditional Name: 2-[[2-(1,3-benzothiazol-2-yl)phenoxy]methyl]-9-methyl-1H-pyrido[1,2-a]pyrimidin-5-ium-4-one Formula: C23H18N3O2S+ MolecularWeight: 400.47292

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2NC(=CC(=O)[N+]2=CC=C1)COC3=CC=CC=C3C4=NC5=CC=CC=C5S4

Isomeric SMILES

CC1=C2NC(=CC(=O)[N+]2=CC=C1)COC3=CC=CC=C3C4=NC5=CC=CC=C5S4

InChI

InChI=1S/C23H17N3O2S/c1-15-7-6-12-26-21(27)13-16(24-22(15)26)14-28-19-10-4-2-8-17(19)23-25-18-9-3-5-11-20(18)29-23/h2-13H,14H2,1H3/p+1