5-methyl-1-(2-piperidin-1-ium-1-ylethylsulfanyl)-[1,2,4]triazolo[4,3-a]quinoline

Systemtic Name: 5-methyl-1-(2-piperidin-1-ium-1-ylethylsulfanyl)-[1,2,4]triazolo[4,3-a]quinoline Openeye Name: 5-methyl-1-(2-piperidin-1-ium-1-ylethylsulfanyl)-[1,2,4]triazolo[4,3-a]quinoline CAS Name: 5-methyl-1-[2-(1-piperidin-1-iumyl)ethylthio]-[1,2,4]triazolo[4,3-a]quinoline IUPAC Name: 5-methyl-1-(2-piperidin-1-ium-1-ylethylsulfanyl)-[1,2,4]triazolo[4,3-a]quinoline Traditional Name: 5-methyl-1-(2-piperidin-1-ium-1-ylethylthio)-[1,2,4]triazolo[4,3-a]quinoline Formula: C18H23N4S+ MolecularWeight: 327.46702

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=NN=C(N2C3=CC=CC=C13)SCC[NH+]4CCCCC4

Isomeric SMILES

CC1=CC2=NN=C(N2C3=CC=CC=C13)SCC[NH+]4CCCCC4

InChI

InChI=1S/C18H22N4S/c1-14-13-17-19-20-18(22(17)16-8-4-3-7-15(14)16)23-12-11-21-9-5-2-6-10-21/h3-4,7-8,13H,2,5-6,9-12H2,1H3/p+1