9-methyl-2-[(1R)-1-phenylethyl]sulfanyl-1H-pyrido[1,2-a][1,3,5]triazin-5-ium-4-one

Systemtic Name: 9-methyl-2-[(1R)-1-phenylethyl]sulfanyl-1H-pyrido[1,2-a][1,3,5]triazin-5-ium-4-one Openeye Name: 9-methyl-2-[(1R)-1-phenylethyl]sulfanyl-1H-pyrido[1,2-a][1,3,5]triazin-5-ium-4-one CAS Name: 9-methyl-2-[[(1R)-1-phenylethyl]thio]-1H-pyrido[1,2-a][1,3,5]triazin-5-ium-4-one IUPAC Name: 9-methyl-2-[(1R)-1-phenylethyl]sulfanyl-1H-pyrido[1,2-a][1,3,5]triazin-5-ium-4-one Traditional Name: 9-methyl-2-[[(1R)-1-phenylethyl]thio]-1H-pyrido[1,2-a][1,3,5]triazin-5-ium-4-one Formula: C16H16N3OS+ MolecularWeight: 298.38274

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C2NC(=NC(=O)[N+]2=CC=C1)SC(C)C3=CC=CC=C3

Isomeric SMILES

CC1=C2NC(=NC(=O)[N+]2=CC=C1)S[C@H](C)C3=CC=CC=C3

InChI

InChI=1S/C16H15N3OS/c1-11-7-6-10-19-14(11)17-15(18-16(19)20)21-12(2)13-8-4-3-5-9-13/h3-10,12H,1-2H3/p+1/t12-/m1/s1