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

Systemtic Name: 7-bromanyl-2-[2-(4-propoxyphenoxy)ethylsulfanylmethyl]-1H-pyrido[1,2-a]pyrimidin-5-ium-4-one Openeye Name: 7-bromo-2-[2-(4-propoxyphenoxy)ethylsulfanylmethyl]-1H-pyrido[1,2-a]pyrimidin-5-ium-4-one CAS Name: 7-bromo-2-[[2-(4-propoxyphenoxy)ethylthio]methyl]-1H-pyrido[1,2-a]pyrimidin-5-ium-4-one IUPAC Name: 7-bromo-2-[2-(4-propoxyphenoxy)ethylsulfanylmethyl]-1H-pyrido[1,2-a]pyrimidin-5-ium-4-one Traditional Name: 7-bromo-2-[[2-(4-propoxyphenoxy)ethylthio]methyl]-1H-pyrido[1,2-a]pyrimidin-5-ium-4-one Formula: C20H22BrN2O3S+ MolecularWeight: 450.36928

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=CC=C(C=C1)OCCSCC2=CC(=O)[N+]3=C(N2)C=CC(=C3)Br

Isomeric SMILES

CCCOC1=CC=C(C=C1)OCCSCC2=CC(=O)[N+]3=C(N2)C=CC(=C3)Br

InChI

InChI=1S/C20H21BrN2O3S/c1-2-9-25-17-4-6-18(7-5-17)26-10-11-27-14-16-12-20(24)23-13-15(21)3-8-19(23)22-16/h3-8,12-13H,2,9-11,14H2,1H3/p+1