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(7-methyl-4-oxidanylidene-1H-pyrido[1,2-a]pyrimidin-5-ium-2-yl)methyl 2-(2-methylphenyl)sulfanylethanoate

(7-methyl-4-oxidanylidene-1H-pyrido[1,2-a]pyrimidin-5-ium-2-yl)methyl 2-(2-methylphenyl)sulfanylethanoate

Systemtic Name:(7-methyl-4-oxidanylidene-1H-pyrido[1,2-a]pyrimidin-5-ium-2-yl)methyl 2-(2-methylphenyl)sulfanylethanoate
Openeye Name:(7-methyl-4-oxo-1H-pyrido[1,2-a]pyrimidin-5-ium-2-yl)methyl 2-(o-tolylsulfanyl)acetate
CAS Name:2-[(2-methylphenyl)thio]acetic acid (7-methyl-4-oxo-1H-pyrido[1,2-a]pyrimidin-5-ium-2-yl)methyl ester
IUPAC Name:(7-methyl-4-oxo-1H-pyrido[1,2-a]pyrimidin-5-ium-2-yl)methyl 2-(2-methylphenyl)sulfanylacetate
Traditional Name:2-(o-tolylthio)acetic acid (4-keto-7-methyl-1H-pyrido[1,2-a]pyrimidin-5-ium-2-yl)methyl ester
Formula: C19H19N2O3S+
MolecularWeight: 355.43076
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Descriptors Computed from Structure

Canonical SMILES:

CC1=C[N+]2=C(C=C1)NC(=CC2=O)COC(=O)CSC3=CC=CC=C3C


Isomeric SMILES

CC1=C[N+]2=C(C=C1)NC(=CC2=O)COC(=O)CSC3=CC=CC=C3C


InChI

InChI=1S/C19H18N2O3S/c1-13-7-8-17-20-15(9-18(22)21(17)10-13)11-24-19(23)12-25-16-6-4-3-5-14(16)2/h3-10H,11-12H2,1-2H3/p+1


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