4,5-dicyclopropyl-2-[[(2R)-2-(4-methoxyphenyl)pyrrolidin-1-ium-1-yl]methyl]-1,2,4-triazole-3-thione

Systemtic Name: 4,5-dicyclopropyl-2-[[(2R)-2-(4-methoxyphenyl)pyrrolidin-1-ium-1-yl]methyl]-1,2,4-triazole-3-thione Openeye Name: 4,5-dicyclopropyl-2-[[(2R)-2-(4-methoxyphenyl)pyrrolidin-1-ium-1-yl]methyl]-1,2,4-triazole-3-thione CAS Name: 4,5-dicyclopropyl-2-[[(2R)-2-(4-methoxyphenyl)-1-pyrrolidin-1-iumyl]methyl]-1,2,4-triazole-3-thione IUPAC Name: 4,5-dicyclopropyl-2-[[(2R)-2-(4-methoxyphenyl)pyrrolidin-1-ium-1-yl]methyl]-1,2,4-triazole-3-thione Traditional Name: 4,5-dicyclopropyl-2-[[(2R)-2-(4-methoxyphenyl)pyrrolidin-1-ium-1-yl]methyl]-1,2,4-triazole-3-thione Formula: C20H27N4OS+ MolecularWeight: 371.51958

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2CCC[NH+]2CN3C(=S)N(C(=N3)C4CC4)C5CC5

Isomeric SMILES

COC1=CC=C(C=C1)[C@H]2CCC[NH+]2CN3C(=S)N(C(=N3)C4CC4)C5CC5

InChI

InChI=1S/C20H26N4OS/c1-25-17-10-6-14(7-11-17)18-3-2-12-22(18)13-23-20(26)24(16-8-9-16)19(21-23)15-4-5-15/h6-7,10-11,15-16,18H,2-5,8-9,12-13H2,1H3/p+1/t18-/m1/s1