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

Systemtic Name: 1-(furan-3-ylmethyl)-4-[5-(2-methoxyethylsulfanyl)-4-methyl-1,2,4-triazol-3-yl]piperidin-1-ium Openeye Name: 1-(3-furylmethyl)-4-[5-(2-methoxyethylsulfanyl)-4-methyl-1,2,4-triazol-3-yl]piperidin-1-ium CAS Name: 1-(3-furanylmethyl)-4-[5-(2-methoxyethylthio)-4-methyl-1,2,4-triazol-3-yl]piperidin-1-ium IUPAC Name: 1-(furan-3-ylmethyl)-4-[5-(2-methoxyethylsulfanyl)-4-methyl-1,2,4-triazol-3-yl]piperidin-1-ium Traditional Name: 1-(3-furfuryl)-4-[5-(2-methoxyethylthio)-4-methyl-1,2,4-triazol-3-yl]piperidin-1-ium Formula: C16H25N4O2S+ MolecularWeight: 337.4603

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H24N4O2S/c1-19-15(17-18-16(19)23-10-9-21-2)14-3-6-20(7-4-14)11-13-5-8-22-12-13/h5,8,12,14H,3-4,6-7,9-11H2,1-2H3/p+1