2-[(2,5-dimethylphenyl)sulfanylmethyl]-9-methyl-1H-pyrido[1,2-a]pyrimidin-5-ium-4-one

Systemtic Name: 2-[(2,5-dimethylphenyl)sulfanylmethyl]-9-methyl-1H-pyrido[1,2-a]pyrimidin-5-ium-4-one Openeye Name: 2-[(2,5-dimethylphenyl)sulfanylmethyl]-9-methyl-1H-pyrido[1,2-a]pyrimidin-5-ium-4-one CAS Name: 2-[[(2,5-dimethylphenyl)thio]methyl]-9-methyl-1H-pyrido[1,2-a]pyrimidin-5-ium-4-one IUPAC Name: 2-[(2,5-dimethylphenyl)sulfanylmethyl]-9-methyl-1H-pyrido[1,2-a]pyrimidin-5-ium-4-one Traditional Name: 2-[[(2,5-dimethylphenyl)thio]methyl]-9-methyl-1H-pyrido[1,2-a]pyrimidin-5-ium-4-one Formula: C18H19N2OS+ MolecularWeight: 311.42126

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)SCC2=CC(=O)[N+]3=CC=CC(=C3N2)C

Isomeric SMILES

CC1=CC(=C(C=C1)C)SCC2=CC(=O)[N+]3=CC=CC(=C3N2)C

InChI

InChI=1S/C18H18N2OS/c1-12-6-7-13(2)16(9-12)22-11-15-10-17(21)20-8-4-5-14(3)18(20)19-15/h4-10H,11H2,1-3H3/p+1