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

Systemtic Name: 3-[[4-[5-(2-methoxyethylsulfanyl)-4-methyl-1,2,4-triazol-3-yl]piperidin-1-ium-1-yl]methyl]pyridine Openeye Name: 3-[[4-[5-(2-methoxyethylsulfanyl)-4-methyl-1,2,4-triazol-3-yl]piperidin-1-ium-1-yl]methyl]pyridine CAS Name: 3-[[4-[5-(2-methoxyethylthio)-4-methyl-1,2,4-triazol-3-yl]-1-piperidin-1-iumyl]methyl]pyridine IUPAC Name: 3-[[4-[5-(2-methoxyethylsulfanyl)-4-methyl-1,2,4-triazol-3-yl]piperidin-1-ium-1-yl]methyl]pyridine Traditional Name: 3-[[4-[5-(2-methoxyethylthio)-4-methyl-1,2,4-triazol-3-yl]piperidin-1-ium-1-yl]methyl]pyridine Formula: C17H26N5OS+ MolecularWeight: 348.48624

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NN=C1SCCOC)C2CC[NH+](CC2)CC3=CN=CC=C3

Isomeric SMILES

CN1C(=NN=C1SCCOC)C2CC[NH+](CC2)CC3=CN=CC=C3

InChI

InChI=1S/C17H25N5OS/c1-21-16(19-20-17(21)24-11-10-23-2)15-5-8-22(9-6-15)13-14-4-3-7-18-12-14/h3-4,7,12,15H,5-6,8-11,13H2,1-2H3/p+1