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

Systemtic Name: 2-[[(2R)-2-(2,5-dimethoxyphenyl)pyrrolidin-1-ium-1-yl]methyl]-4-methyl-5-pyridin-4-yl-1,2,4-triazole-3-thione Openeye Name: 2-[[(2R)-2-(2,5-dimethoxyphenyl)pyrrolidin-1-ium-1-yl]methyl]-4-methyl-5-(4-pyridyl)-1,2,4-triazole-3-thione CAS Name: 2-[[(2R)-2-(2,5-dimethoxyphenyl)-1-pyrrolidin-1-iumyl]methyl]-4-methyl-5-pyridin-4-yl-1,2,4-triazole-3-thione IUPAC Name: 2-[[(2R)-2-(2,5-dimethoxyphenyl)pyrrolidin-1-ium-1-yl]methyl]-4-methyl-5-pyridin-4-yl-1,2,4-triazole-3-thione Traditional Name: 2-[[(2R)-2-(2,5-dimethoxyphenyl)pyrrolidin-1-ium-1-yl]methyl]-4-methyl-5-(4-pyridyl)-1,2,4-triazole-3-thione Formula: C21H26N5O2S+ MolecularWeight: 412.52844

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NN(C1=S)C[NH+]2CCCC2C3=C(C=CC(=C3)OC)OC)C4=CC=NC=C4

Isomeric SMILES

CN1C(=NN(C1=S)C[NH+]2CCC[C@@H]2C3=C(C=CC(=C3)OC)OC)C4=CC=NC=C4

InChI

InChI=1S/C21H25N5O2S/c1-24-20(15-8-10-22-11-9-15)23-26(21(24)29)14-25-12-4-5-18(25)17-13-16(27-2)6-7-19(17)28-3/h6-11,13,18H,4-5,12,14H2,1-3H3/p+1/t18-/m1/s1