2-[[3-(4-methoxyphenyl)-1,2-oxazol-5-yl]methylsulfanylmethyl]-7-methyl-1H-pyrido[1,2-a]pyrimidin-5-ium-4-one

Systemtic Name: 2-[[3-(4-methoxyphenyl)-1,2-oxazol-5-yl]methylsulfanylmethyl]-7-methyl-1H-pyrido[1,2-a]pyrimidin-5-ium-4-one Openeye Name: 2-[[3-(4-methoxyphenyl)isoxazol-5-yl]methylsulfanylmethyl]-7-methyl-1H-pyrido[1,2-a]pyrimidin-5-ium-4-one CAS Name: 2-[[[3-(4-methoxyphenyl)-5-isoxazolyl]methylthio]methyl]-7-methyl-1H-pyrido[1,2-a]pyrimidin-5-ium-4-one IUPAC Name: 2-[[3-(4-methoxyphenyl)-1,2-oxazol-5-yl]methylsulfanylmethyl]-7-methyl-1H-pyrido[1,2-a]pyrimidin-5-ium-4-one Traditional Name: 2-[[[3-(4-methoxyphenyl)isoxazol-5-yl]methylthio]methyl]-7-methyl-1H-pyrido[1,2-a]pyrimidin-5-ium-4-one Formula: C21H20N3O3S+ MolecularWeight: 394.4668

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C[N+]2=C(C=C1)NC(=CC2=O)CSCC3=CC(=NO3)C4=CC=C(C=C4)OC

Isomeric SMILES

CC1=C[N+]2=C(C=C1)NC(=CC2=O)CSCC3=CC(=NO3)C4=CC=C(C=C4)OC

InChI

InChI=1S/C21H19N3O3S/c1-14-3-8-20-22-16(9-21(25)24(20)11-14)12-28-13-18-10-19(23-27-18)15-4-6-17(26-2)7-5-15/h3-11H,12-13H2,1-2H3/p+1