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

Systemtic Name: 5-(2-fluorophenyl)-2-[(4-methylpiperidin-1-ium-1-yl)methyl]-4-phenyl-1,2,4-triazole-3-thione Openeye Name: 5-(2-fluorophenyl)-2-[(4-methylpiperidin-1-ium-1-yl)methyl]-4-phenyl-1,2,4-triazole-3-thione CAS Name: 5-(2-fluorophenyl)-2-[(4-methyl-1-piperidin-1-iumyl)methyl]-4-phenyl-1,2,4-triazole-3-thione IUPAC Name: 5-(2-fluorophenyl)-2-[(4-methylpiperidin-1-ium-1-yl)methyl]-4-phenyl-1,2,4-triazole-3-thione Traditional Name: 5-(2-fluorophenyl)-2-[(4-methylpiperidin-1-ium-1-yl)methyl]-4-phenyl-1,2,4-triazole-3-thione Formula: C21H24FN4S+ MolecularWeight: 383.505463

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC[NH+](CC1)CN2C(=S)N(C(=N2)C3=CC=CC=C3F)C4=CC=CC=C4

Isomeric SMILES

CC1CC[NH+](CC1)CN2C(=S)N(C(=N2)C3=CC=CC=C3F)C4=CC=CC=C4

InChI

InChI=1S/C21H23FN4S/c1-16-11-13-24(14-12-16)15-25-21(27)26(17-7-3-2-4-8-17)20(23-25)18-9-5-6-10-19(18)22/h2-10,16H,11-15H2,1H3/p+1