4-cyclopropyl-2-[[(2S)-2-ethylpiperidin-1-ium-1-yl]methyl]-5-(2-fluorophenyl)-1,2,4-triazole-3-thione

Systemtic Name: 4-cyclopropyl-2-[[(2S)-2-ethylpiperidin-1-ium-1-yl]methyl]-5-(2-fluorophenyl)-1,2,4-triazole-3-thione Openeye Name: 4-cyclopropyl-2-[[(2S)-2-ethylpiperidin-1-ium-1-yl]methyl]-5-(2-fluorophenyl)-1,2,4-triazole-3-thione CAS Name: 4-cyclopropyl-2-[[(2S)-2-ethyl-1-piperidin-1-iumyl]methyl]-5-(2-fluorophenyl)-1,2,4-triazole-3-thione IUPAC Name: 4-cyclopropyl-2-[[(2S)-2-ethylpiperidin-1-ium-1-yl]methyl]-5-(2-fluorophenyl)-1,2,4-triazole-3-thione Traditional Name: 4-cyclopropyl-2-[[(2S)-2-ethylpiperidin-1-ium-1-yl]methyl]-5-(2-fluorophenyl)-1,2,4-triazole-3-thione Formula: C19H26FN4S+ MolecularWeight: 361.499943

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Descriptors Computed from Structure

Canonical SMILES:

CCC1CCCC[NH+]1CN2C(=S)N(C(=N2)C3=CC=CC=C3F)C4CC4

Isomeric SMILES

CC[C@H]1CCCC[NH+]1CN2C(=S)N(C(=N2)C3=CC=CC=C3F)C4CC4

InChI

InChI=1S/C19H25FN4S/c1-2-14-7-5-6-12-22(14)13-23-19(25)24(15-10-11-15)18(21-23)16-8-3-4-9-17(16)20/h3-4,8-9,14-15H,2,5-7,10-13H2,1H3/p+1/t14-/m0/s1