9-methyl-2-[(4-pentyl-1,2,4-triazol-3-yl)sulfanylmethyl]-1H-pyrido[1,2-a]pyrimidin-5-ium-4-one

Systemtic Name: 9-methyl-2-[(4-pentyl-1,2,4-triazol-3-yl)sulfanylmethyl]-1H-pyrido[1,2-a]pyrimidin-5-ium-4-one Openeye Name: 9-methyl-2-[(4-pentyl-1,2,4-triazol-3-yl)sulfanylmethyl]-1H-pyrido[1,2-a]pyrimidin-5-ium-4-one CAS Name: 9-methyl-2-[[(4-pentyl-1,2,4-triazol-3-yl)thio]methyl]-1H-pyrido[1,2-a]pyrimidin-5-ium-4-one IUPAC Name: 9-methyl-2-[(4-pentyl-1,2,4-triazol-3-yl)sulfanylmethyl]-1H-pyrido[1,2-a]pyrimidin-5-ium-4-one Traditional Name: 2-[[(4-amyl-1,2,4-triazol-3-yl)thio]methyl]-9-methyl-1H-pyrido[1,2-a]pyrimidin-5-ium-4-one Formula: C17H22N5OS+ MolecularWeight: 344.45448

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCN1C=NN=C1SCC2=CC(=O)[N+]3=CC=CC(=C3N2)C

Isomeric SMILES

CCCCCN1C=NN=C1SCC2=CC(=O)[N+]3=CC=CC(=C3N2)C

InChI

InChI=1S/C17H21N5OS/c1-3-4-5-8-21-12-18-20-17(21)24-11-14-10-15(23)22-9-6-7-13(2)16(22)19-14/h6-7,9-10,12H,3-5,8,11H2,1-2H3/p+1