7-bromanyl-2-[(5-cyclohexyl-4-prop-2-enyl-1,2,4-triazol-3-yl)sulfanylmethyl]-1H-pyrido[1,2-a]pyrimidin-5-ium-4-one

Systemtic Name: 7-bromanyl-2-[(5-cyclohexyl-4-prop-2-enyl-1,2,4-triazol-3-yl)sulfanylmethyl]-1H-pyrido[1,2-a]pyrimidin-5-ium-4-one Openeye Name: 2-[(4-allyl-5-cyclohexyl-1,2,4-triazol-3-yl)sulfanylmethyl]-7-bromo-1H-pyrido[1,2-a]pyrimidin-5-ium-4-one CAS Name: 7-bromo-2-[[(5-cyclohexyl-4-prop-2-enyl-1,2,4-triazol-3-yl)thio]methyl]-1H-pyrido[1,2-a]pyrimidin-5-ium-4-one IUPAC Name: 7-bromo-2-[(5-cyclohexyl-4-prop-2-enyl-1,2,4-triazol-3-yl)sulfanylmethyl]-1H-pyrido[1,2-a]pyrimidin-5-ium-4-one Traditional Name: 2-[[(4-allyl-5-cyclohexyl-1,2,4-triazol-3-yl)thio]methyl]-7-bromo-1H-pyrido[1,2-a]pyrimidin-5-ium-4-one Formula: C20H23BrN5OS+ MolecularWeight: 461.39852

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C=CCN1C(=NN=C1SCC2=CC(=O)[N+]3=C(N2)C=CC(=C3)Br)C4CCCCC4

Isomeric SMILES

C=CCN1C(=NN=C1SCC2=CC(=O)[N+]3=C(N2)C=CC(=C3)Br)C4CCCCC4

InChI

InChI=1S/C20H22BrN5OS/c1-2-10-25-19(14-6-4-3-5-7-14)23-24-20(25)28-13-16-11-18(27)26-12-15(21)8-9-17(26)22-16/h2,8-9,11-12,14H,1,3-7,10,13H2/p+1