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

Systemtic Name: 2-[[(2R)-2-(2,5-dimethoxyphenyl)pyrrolidin-1-ium-1-yl]methyl]-4-methyl-1,2,4-triazole-3-thione Openeye Name: 2-[[(2R)-2-(2,5-dimethoxyphenyl)pyrrolidin-1-ium-1-yl]methyl]-4-methyl-1,2,4-triazole-3-thione CAS Name: 2-[[(2R)-2-(2,5-dimethoxyphenyl)-1-pyrrolidin-1-iumyl]methyl]-4-methyl-1,2,4-triazole-3-thione IUPAC Name: 2-[[(2R)-2-(2,5-dimethoxyphenyl)pyrrolidin-1-ium-1-yl]methyl]-4-methyl-1,2,4-triazole-3-thione Traditional Name: 2-[[(2R)-2-(2,5-dimethoxyphenyl)pyrrolidin-1-ium-1-yl]methyl]-4-methyl-1,2,4-triazole-3-thione Formula: C16H23N4O2S+ MolecularWeight: 335.44442

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H22N4O2S/c1-18-10-17-20(16(18)23)11-19-8-4-5-14(19)13-9-12(21-2)6-7-15(13)22-3/h6-7,9-10,14H,4-5,8,11H2,1-3H3/p+1/t14-/m1/s1