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

Systemtic Name: 2-[(4-methoxyphenyl)sulfanylmethyl]-6-methyl-1H-pyrido[1,2-a]pyrimidin-5-ium-4-one Openeye Name: 2-[(4-methoxyphenyl)sulfanylmethyl]-6-methyl-1H-pyrido[1,2-a]pyrimidin-5-ium-4-one CAS Name: 2-[[(4-methoxyphenyl)thio]methyl]-6-methyl-1H-pyrido[1,2-a]pyrimidin-5-ium-4-one IUPAC Name: 2-[(4-methoxyphenyl)sulfanylmethyl]-6-methyl-1H-pyrido[1,2-a]pyrimidin-5-ium-4-one Traditional Name: 2-[[(4-methoxyphenyl)thio]methyl]-6-methyl-1H-pyrido[1,2-a]pyrimidin-5-ium-4-one Formula: C17H17N2O2S+ MolecularWeight: 313.39408

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Descriptors Computed from Structure

Canonical SMILES:

CC1=[N+]2C(=CC=C1)NC(=CC2=O)CSC3=CC=C(C=C3)OC

Isomeric SMILES

CC1=[N+]2C(=CC=C1)NC(=CC2=O)CSC3=CC=C(C=C3)OC

InChI

InChI=1S/C17H16N2O2S/c1-12-4-3-5-16-18-13(10-17(20)19(12)16)11-22-15-8-6-14(21-2)7-9-15/h3-10H,11H2,1-2H3/p+1