4-[[methyl(pyrrolidin-1-yl)amino]methyl]-2-phenyl-1H-1,2,4-triazol-4-ium-5-thione

Systemtic Name: 4-[[methyl(pyrrolidin-1-yl)amino]methyl]-2-phenyl-1H-1,2,4-triazol-4-ium-5-thione Openeye Name: 4-[[methyl(pyrrolidin-1-yl)amino]methyl]-2-phenyl-1H-1,2,4-triazol-4-ium-5-thione CAS Name: 4-[[methyl(1-pyrrolidinyl)amino]methyl]-2-phenyl-1H-1,2,4-triazol-4-ium-5-thione IUPAC Name: 4-[[methyl(pyrrolidin-1-yl)amino]methyl]-2-phenyl-1H-1,2,4-triazol-4-ium-5-thione Traditional Name: 4-[[methyl(pyrrolidino)amino]methyl]-2-phenyl-1H-1,2,4-triazol-4-ium-5-thione Formula: C14H20N5S+ MolecularWeight: 290.4071

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN(C[N+]1=CN(NC1=S)C2=CC=CC=C2)N3CCCC3

Isomeric SMILES

CN(C[N+]1=CN(NC1=S)C2=CC=CC=C2)N3CCCC3

InChI

InChI=1S/C14H19N5S/c1-16(18-9-5-6-10-18)11-17-12-19(15-14(17)20)13-7-3-2-4-8-13/h2-4,7-8,12H,5-6,9-11H2,1H3/p+1