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

Systemtic Name: 5-(furan-2-yl)-4-methyl-2-[(4-phenylpiperidin-1-ium-1-yl)methyl]-1,2,4-triazole-3-thione Openeye Name: 5-(2-furyl)-4-methyl-2-[(4-phenylpiperidin-1-ium-1-yl)methyl]-1,2,4-triazole-3-thione CAS Name: 5-(2-furanyl)-4-methyl-2-[(4-phenyl-1-piperidin-1-iumyl)methyl]-1,2,4-triazole-3-thione IUPAC Name: 5-(furan-2-yl)-4-methyl-2-[(4-phenylpiperidin-1-ium-1-yl)methyl]-1,2,4-triazole-3-thione Traditional Name: 5-(2-furyl)-4-methyl-2-[(4-phenylpiperidin-1-ium-1-yl)methyl]-1,2,4-triazole-3-thione Formula: C19H23N4OS+ MolecularWeight: 355.47712

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NN(C1=S)C[NH+]2CCC(CC2)C3=CC=CC=C3)C4=CC=CO4

Isomeric SMILES

CN1C(=NN(C1=S)C[NH+]2CCC(CC2)C3=CC=CC=C3)C4=CC=CO4

InChI

InChI=1S/C19H22N4OS/c1-21-18(17-8-5-13-24-17)20-23(19(21)25)14-22-11-9-16(10-12-22)15-6-3-2-4-7-15/h2-8,13,16H,9-12,14H2,1H3/p+1