7-methyl-2-(2-piperidin-1-ium-1-ylethylsulfanyl)pyrido[1,2-a][1,3,5]triazin-4-one

Systemtic Name: 7-methyl-2-(2-piperidin-1-ium-1-ylethylsulfanyl)pyrido[1,2-a][1,3,5]triazin-4-one Openeye Name: 7-methyl-2-(2-piperidin-1-ium-1-ylethylsulfanyl)pyrido[1,2-a][1,3,5]triazin-4-one CAS Name: 7-methyl-2-[2-(1-piperidin-1-iumyl)ethylthio]-4-pyrido[1,2-a][1,3,5]triazinone IUPAC Name: 7-methyl-2-(2-piperidin-1-ium-1-ylethylsulfanyl)pyrido[1,2-a][1,3,5]triazin-4-one Traditional Name: 7-methyl-2-(2-piperidin-1-ium-1-ylethylthio)pyrido[1,2-a][1,3,5]triazin-4-one Formula: C15H21N4OS+ MolecularWeight: 305.41844

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CN2C(=NC(=NC2=O)SCC[NH+]3CCCCC3)C=C1

Isomeric SMILES

CC1=CN2C(=NC(=NC2=O)SCC[NH+]3CCCCC3)C=C1

InChI

InChI=1S/C15H20N4OS/c1-12-5-6-13-16-14(17-15(20)19(13)11-12)21-10-9-18-7-3-2-4-8-18/h5-6,11H,2-4,7-10H2,1H3/p+1