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

Systemtic Name: 2-[[(2R)-2-(4-ethoxyphenyl)pyrrolidin-1-ium-1-yl]methyl]-4-ethyl-5-phenyl-1,2,4-triazole-3-thione Openeye Name: 2-[[(2R)-2-(4-ethoxyphenyl)pyrrolidin-1-ium-1-yl]methyl]-4-ethyl-5-phenyl-1,2,4-triazole-3-thione CAS Name: 2-[[(2R)-2-(4-ethoxyphenyl)-1-pyrrolidin-1-iumyl]methyl]-4-ethyl-5-phenyl-1,2,4-triazole-3-thione IUPAC Name: 2-[[(2R)-2-(4-ethoxyphenyl)pyrrolidin-1-ium-1-yl]methyl]-4-ethyl-5-phenyl-1,2,4-triazole-3-thione Traditional Name: 4-ethyl-5-phenyl-2-[[(2R)-2-p-phenetylpyrrolidin-1-ium-1-yl]methyl]-1,2,4-triazole-3-thione Formula: C23H29N4OS+ MolecularWeight: 409.56756

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H28N4OS/c1-3-26-22(19-9-6-5-7-10-19)24-27(23(26)29)17-25-16-8-11-21(25)18-12-14-20(15-13-18)28-4-2/h5-7,9-10,12-15,21H,3-4,8,11,16-17H2,1-2H3/p+1/t21-/m1/s1