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

Systemtic Name: 2-[[(2R)-2-(4-methoxyphenyl)pyrrolidin-1-ium-1-yl]methyl]-5-phenyl-1H-1,2,4-triazole-3-thione Openeye Name: 2-[[(2R)-2-(4-methoxyphenyl)pyrrolidin-1-ium-1-yl]methyl]-5-phenyl-1H-1,2,4-triazole-3-thione CAS Name: 2-[[(2R)-2-(4-methoxyphenyl)-1-pyrrolidin-1-iumyl]methyl]-5-phenyl-1H-1,2,4-triazole-3-thione IUPAC Name: 2-[[(2R)-2-(4-methoxyphenyl)pyrrolidin-1-ium-1-yl]methyl]-5-phenyl-1H-1,2,4-triazole-3-thione Traditional Name: 2-[[(2R)-2-(4-methoxyphenyl)pyrrolidin-1-ium-1-yl]methyl]-5-phenyl-1H-1,2,4-triazole-3-thione Formula: C20H23N4OS+ MolecularWeight: 367.48782

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2CCC[NH+]2CN3C(=S)N=C(N3)C4=CC=CC=C4

Isomeric SMILES

COC1=CC=C(C=C1)[C@H]2CCC[NH+]2CN3C(=S)N=C(N3)C4=CC=CC=C4

InChI

InChI=1S/C20H22N4OS/c1-25-17-11-9-15(10-12-17)18-8-5-13-23(18)14-24-20(26)21-19(22-24)16-6-3-2-4-7-16/h2-4,6-7,9-12,18H,5,8,13-14H2,1H3,(H,21,22,26)/p+1/t18-/m1/s1