2-[(2,3,5,6-tetramethylphenyl)sulfanylmethyl]-1H-pyrido[1,2-a]pyrimidin-5-ium-4-one

Systemtic Name: 2-[(2,3,5,6-tetramethylphenyl)sulfanylmethyl]-1H-pyrido[1,2-a]pyrimidin-5-ium-4-one Openeye Name: 2-[(2,3,5,6-tetramethylphenyl)sulfanylmethyl]-1H-pyrido[1,2-a]pyrimidin-5-ium-4-one CAS Name: 2-[[(2,3,5,6-tetramethylphenyl)thio]methyl]-1H-pyrido[1,2-a]pyrimidin-5-ium-4-one IUPAC Name: 2-[(2,3,5,6-tetramethylphenyl)sulfanylmethyl]-1H-pyrido[1,2-a]pyrimidin-5-ium-4-one Traditional Name: 2-[[(2,3,5,6-tetramethylphenyl)thio]methyl]-1H-pyrido[1,2-a]pyrimidin-5-ium-4-one Formula: C19H21N2OS+ MolecularWeight: 325.44784

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1C)SCC2=CC(=O)[N+]3=CC=CC=C3N2)C)C

Isomeric SMILES

CC1=CC(=C(C(=C1C)SCC2=CC(=O)[N+]3=CC=CC=C3N2)C)C

InChI

InChI=1S/C19H20N2OS/c1-12-9-13(2)15(4)19(14(12)3)23-11-16-10-18(22)21-8-6-5-7-17(21)20-16/h5-10H,11H2,1-4H3/p+1