7-bromanyl-2-[2-(3-methylphenoxy)ethylsulfanylmethyl]-1H-pyrido[1,2-a]pyrimidin-5-ium-4-one

Systemtic Name: 7-bromanyl-2-[2-(3-methylphenoxy)ethylsulfanylmethyl]-1H-pyrido[1,2-a]pyrimidin-5-ium-4-one Openeye Name: 7-bromo-2-[2-(3-methylphenoxy)ethylsulfanylmethyl]-1H-pyrido[1,2-a]pyrimidin-5-ium-4-one CAS Name: 7-bromo-2-[[2-(3-methylphenoxy)ethylthio]methyl]-1H-pyrido[1,2-a]pyrimidin-5-ium-4-one IUPAC Name: 7-bromo-2-[2-(3-methylphenoxy)ethylsulfanylmethyl]-1H-pyrido[1,2-a]pyrimidin-5-ium-4-one Traditional Name: 7-bromo-2-[[2-(3-methylphenoxy)ethylthio]methyl]-1H-pyrido[1,2-a]pyrimidin-5-ium-4-one Formula: C18H18BrN2O2S+ MolecularWeight: 406.31672

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)OCCSCC2=CC(=O)[N+]3=C(N2)C=CC(=C3)Br

Isomeric SMILES

CC1=CC(=CC=C1)OCCSCC2=CC(=O)[N+]3=C(N2)C=CC(=C3)Br

InChI

InChI=1S/C18H17BrN2O2S/c1-13-3-2-4-16(9-13)23-7-8-24-12-15-10-18(22)21-11-14(19)5-6-17(21)20-15/h2-6,9-11H,7-8,12H2,1H3/p+1