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

Systemtic Name: 1-[[3-(furan-2-yl)-4-methyl-5-sulfanylidene-1,2,4-triazol-1-yl]methyl]piperidin-1-ium-4-carboxamide Openeye Name: 1-[[3-(2-furyl)-4-methyl-5-thioxo-1,2,4-triazol-1-yl]methyl]piperidin-1-ium-4-carboxamide CAS Name: 1-[[3-(2-furanyl)-4-methyl-5-sulfanylidene-1,2,4-triazol-1-yl]methyl]-4-piperidin-1-iumcarboxamide IUPAC Name: 1-[[3-(furan-2-yl)-4-methyl-5-sulfanylidene-1,2,4-triazol-1-yl]methyl]piperidin-1-ium-4-carboxamide Traditional Name: 1-[[3-(2-furyl)-4-methyl-5-thioxo-1,2,4-triazol-1-yl]methyl]piperidin-1-ium-4-carboxamide Formula: C14H20N5O2S+ MolecularWeight: 322.4059

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NN(C1=S)C[NH+]2CCC(CC2)C(=O)N)C3=CC=CO3

Isomeric SMILES

CN1C(=NN(C1=S)C[NH+]2CCC(CC2)C(=O)N)C3=CC=CO3

InChI

InChI=1S/C14H19N5O2S/c1-17-13(11-3-2-8-21-11)16-19(14(17)22)9-18-6-4-10(5-7-18)12(15)20/h2-3,8,10H,4-7,9H2,1H3,(H2,15,20)/p+1