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

Systemtic Name: 1-(furan-2-ylmethyl)-4-[4-(3-methoxyphenyl)-5-methylsulfanyl-1,2,4-triazol-3-yl]piperidin-1-ium Openeye Name: 1-(2-furylmethyl)-4-[4-(3-methoxyphenyl)-5-methylsulfanyl-1,2,4-triazol-3-yl]piperidin-1-ium CAS Name: 1-(2-furanylmethyl)-4-[4-(3-methoxyphenyl)-5-(methylthio)-1,2,4-triazol-3-yl]piperidin-1-ium IUPAC Name: 1-(furan-2-ylmethyl)-4-[4-(3-methoxyphenyl)-5-methylsulfanyl-1,2,4-triazol-3-yl]piperidin-1-ium Traditional Name: 1-(2-furfuryl)-4-[4-(3-methoxyphenyl)-5-(methylthio)-1,2,4-triazol-3-yl]piperidin-1-ium Formula: C20H25N4O2S+ MolecularWeight: 385.5031

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)N2C(=NN=C2SC)C3CC[NH+](CC3)CC4=CC=CO4

Isomeric SMILES

COC1=CC=CC(=C1)N2C(=NN=C2SC)C3CC[NH+](CC3)CC4=CC=CO4

InChI

InChI=1S/C20H24N4O2S/c1-25-17-6-3-5-16(13-17)24-19(21-22-20(24)27-2)15-8-10-23(11-9-15)14-18-7-4-12-26-18/h3-7,12-13,15H,8-11,14H2,1-2H3/p+1