8-[[4-[5-(2-methoxyethylsulfanyl)-4-methyl-1,2,4-triazol-3-yl]piperidin-1-ium-1-yl]methyl]quinoline

Systemtic Name: 8-[[4-[5-(2-methoxyethylsulfanyl)-4-methyl-1,2,4-triazol-3-yl]piperidin-1-ium-1-yl]methyl]quinoline Openeye Name: 8-[[4-[5-(2-methoxyethylsulfanyl)-4-methyl-1,2,4-triazol-3-yl]piperidin-1-ium-1-yl]methyl]quinoline CAS Name: 8-[[4-[5-(2-methoxyethylthio)-4-methyl-1,2,4-triazol-3-yl]-1-piperidin-1-iumyl]methyl]quinoline IUPAC Name: 8-[[4-[5-(2-methoxyethylsulfanyl)-4-methyl-1,2,4-triazol-3-yl]piperidin-1-ium-1-yl]methyl]quinoline Traditional Name: 8-[[4-[5-(2-methoxyethylthio)-4-methyl-1,2,4-triazol-3-yl]piperidin-1-ium-1-yl]methyl]quinoline Formula: C21H28N5OS+ MolecularWeight: 398.54492

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NN=C1SCCOC)C2CC[NH+](CC2)CC3=CC=CC4=C3N=CC=C4

Isomeric SMILES

CN1C(=NN=C1SCCOC)C2CC[NH+](CC2)CC3=CC=CC4=C3N=CC=C4

InChI

InChI=1S/C21H27N5OS/c1-25-20(23-24-21(25)28-14-13-27-2)17-8-11-26(12-9-17)15-18-6-3-5-16-7-4-10-22-19(16)18/h3-7,10,17H,8-9,11-15H2,1-2H3/p+1