5-(furan-2-yl)-4-methyl-2-[(4-methylpiperidin-1-ium-1-yl)methyl]-1,2,4-triazole-3-thione

Systemtic Name: 5-(furan-2-yl)-4-methyl-2-[(4-methylpiperidin-1-ium-1-yl)methyl]-1,2,4-triazole-3-thione Openeye Name: 5-(2-furyl)-4-methyl-2-[(4-methylpiperidin-1-ium-1-yl)methyl]-1,2,4-triazole-3-thione CAS Name: 5-(2-furanyl)-4-methyl-2-[(4-methyl-1-piperidin-1-iumyl)methyl]-1,2,4-triazole-3-thione IUPAC Name: 5-(furan-2-yl)-4-methyl-2-[(4-methylpiperidin-1-ium-1-yl)methyl]-1,2,4-triazole-3-thione Traditional Name: 5-(2-furyl)-4-methyl-2-[(4-methylpiperidin-1-ium-1-yl)methyl]-1,2,4-triazole-3-thione Formula: C14H21N4OS+ MolecularWeight: 293.40774

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC[NH+](CC1)CN2C(=S)N(C(=N2)C3=CC=CO3)C

Isomeric SMILES

CC1CC[NH+](CC1)CN2C(=S)N(C(=N2)C3=CC=CO3)C

InChI

InChI=1S/C14H20N4OS/c1-11-5-7-17(8-6-11)10-18-14(20)16(2)13(15-18)12-4-3-9-19-12/h3-4,9,11H,5-8,10H2,1-2H3/p+1