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

Systemtic Name: 2-[(3-methoxyphenyl)methylsulfanylmethyl]-7-methyl-1H-pyrido[1,2-a]pyrimidin-5-ium-4-one Openeye Name: 2-[(3-methoxyphenyl)methylsulfanylmethyl]-7-methyl-1H-pyrido[1,2-a]pyrimidin-5-ium-4-one CAS Name: 2-[[(3-methoxyphenyl)methylthio]methyl]-7-methyl-1H-pyrido[1,2-a]pyrimidin-5-ium-4-one IUPAC Name: 2-[(3-methoxyphenyl)methylsulfanylmethyl]-7-methyl-1H-pyrido[1,2-a]pyrimidin-5-ium-4-one Traditional Name: 2-[(m-anisylthio)methyl]-7-methyl-1H-pyrido[1,2-a]pyrimidin-5-ium-4-one Formula: C18H19N2O2S+ MolecularWeight: 327.42066

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C[N+]2=C(C=C1)NC(=CC2=O)CSCC3=CC(=CC=C3)OC

Isomeric SMILES

CC1=C[N+]2=C(C=C1)NC(=CC2=O)CSCC3=CC(=CC=C3)OC

InChI

InChI=1S/C18H18N2O2S/c1-13-6-7-17-19-15(9-18(21)20(17)10-13)12-23-11-14-4-3-5-16(8-14)22-2/h3-10H,11-12H2,1-2H3/p+1