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

Systemtic Name: 2-[[(2R)-2-(2,4-dimethoxyphenyl)pyrrolidin-1-ium-1-yl]methyl]-4-ethyl-5-phenyl-1,2,4-triazole-3-thione Openeye Name: 2-[[(2R)-2-(2,4-dimethoxyphenyl)pyrrolidin-1-ium-1-yl]methyl]-4-ethyl-5-phenyl-1,2,4-triazole-3-thione CAS Name: 2-[[(2R)-2-(2,4-dimethoxyphenyl)-1-pyrrolidin-1-iumyl]methyl]-4-ethyl-5-phenyl-1,2,4-triazole-3-thione IUPAC Name: 2-[[(2R)-2-(2,4-dimethoxyphenyl)pyrrolidin-1-ium-1-yl]methyl]-4-ethyl-5-phenyl-1,2,4-triazole-3-thione Traditional Name: 2-[[(2R)-2-(2,4-dimethoxyphenyl)pyrrolidin-1-ium-1-yl]methyl]-4-ethyl-5-phenyl-1,2,4-triazole-3-thione Formula: C23H29N4O2S+ MolecularWeight: 425.56696

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=NN(C1=S)C[NH+]2CCCC2C3=C(C=C(C=C3)OC)OC)C4=CC=CC=C4

Isomeric SMILES

CCN1C(=NN(C1=S)C[NH+]2CCC[C@@H]2C3=C(C=C(C=C3)OC)OC)C4=CC=CC=C4

InChI

InChI=1S/C23H28N4O2S/c1-4-26-22(17-9-6-5-7-10-17)24-27(23(26)30)16-25-14-8-11-20(25)19-13-12-18(28-2)15-21(19)29-3/h5-7,9-10,12-13,15,20H,4,8,11,14,16H2,1-3H3/p+1/t20-/m1/s1