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

Systemtic Name: 5-cyclopropyl-2-[[(2R)-2-(2,5-dimethoxyphenyl)pyrrolidin-1-ium-1-yl]methyl]-4-methyl-1,2,4-triazole-3-thione Openeye Name: 5-cyclopropyl-2-[[(2R)-2-(2,5-dimethoxyphenyl)pyrrolidin-1-ium-1-yl]methyl]-4-methyl-1,2,4-triazole-3-thione CAS Name: 5-cyclopropyl-2-[[(2R)-2-(2,5-dimethoxyphenyl)-1-pyrrolidin-1-iumyl]methyl]-4-methyl-1,2,4-triazole-3-thione IUPAC Name: 5-cyclopropyl-2-[[(2R)-2-(2,5-dimethoxyphenyl)pyrrolidin-1-ium-1-yl]methyl]-4-methyl-1,2,4-triazole-3-thione Traditional Name: 5-cyclopropyl-2-[[(2R)-2-(2,5-dimethoxyphenyl)pyrrolidin-1-ium-1-yl]methyl]-4-methyl-1,2,4-triazole-3-thione Formula: C19H27N4O2S+ MolecularWeight: 375.50828

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NN(C1=S)C[NH+]2CCCC2C3=C(C=CC(=C3)OC)OC)C4CC4

Isomeric SMILES

CN1C(=NN(C1=S)C[NH+]2CCC[C@@H]2C3=C(C=CC(=C3)OC)OC)C4CC4

InChI

InChI=1S/C19H26N4O2S/c1-21-18(13-6-7-13)20-23(19(21)26)12-22-10-4-5-16(22)15-11-14(24-2)8-9-17(15)25-3/h8-9,11,13,16H,4-7,10,12H2,1-3H3/p+1/t16-/m1/s1