2-(quinolin-2-ylsulfanylmethyl)-1H-pyrido[1,2-a]pyrimidin-5-ium-4-one

Systemtic Name: 2-(quinolin-2-ylsulfanylmethyl)-1H-pyrido[1,2-a]pyrimidin-5-ium-4-one Openeye Name: 2-(2-quinolylsulfanylmethyl)-1H-pyrido[1,2-a]pyrimidin-5-ium-4-one CAS Name: 2-[(2-quinolinylthio)methyl]-1H-pyrido[1,2-a]pyrimidin-5-ium-4-one IUPAC Name: 2-(quinolin-2-ylsulfanylmethyl)-1H-pyrido[1,2-a]pyrimidin-5-ium-4-one Traditional Name: 2-[(2-quinolylthio)methyl]-1H-pyrido[1,2-a]pyrimidin-5-ium-4-one Formula: C18H14N3OS+ MolecularWeight: 320.38826

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C=CC(=N2)SCC3=CC(=O)[N+]4=CC=CC=C4N3

Isomeric SMILES

C1=CC=C2C(=C1)C=CC(=N2)SCC3=CC(=O)[N+]4=CC=CC=C4N3

InChI

InChI=1S/C18H13N3OS/c22-18-11-14(19-16-7-3-4-10-21(16)18)12-23-17-9-8-13-5-1-2-6-15(13)20-17/h1-11H,12H2/p+1