2-(6-tert-butyl-5H-pyrazolo[5,1-c][1,2,4]triazol-3-yl)propylazanium; 4-methylbenzenesulfonate

Systemtic Name: 2-(6-tert-butyl-5H-pyrazolo[5,1-c][1,2,4]triazol-3-yl)propylazanium; 4-methylbenzenesulfonate Openeye Name: 2-(6-tert-butyl-5H-pyrazolo[5,1-c][1,2,4]triazol-3-yl)propylammonium; 4-methylbenzenesulfonate CAS Name: 2-(6-tert-butyl-5H-pyrazolo[5,1-c][1,2,4]triazol-3-yl)propylammonium; 4-methylbenzenesulfonate IUPAC Name: 2-(6-tert-butyl-5H-pyrazolo[5,1-c][1,2,4]triazol-3-yl)propylazanium; 4-methylbenzenesulfonate Traditional Name: 2-(6-tert-butyl-5H-pyrazolo[5,1-c][1,2,4]triazol-3-yl)propylammonium tosylate Formula: C18H27N5O3S MolecularWeight: 393.50368

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)[O-].CC(C[NH3+])C1=NN=C2N1NC(=C2)C(C)(C)C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)[O-].CC(C[NH3+])C1=NN=C2N1NC(=C2)C(C)(C)C

InChI

InChI=1S/C11H19N5.C7H8O3S/c1-7(6-12)10-14-13-9-5-8(11(2,3)4)15-16(9)10;1-6-2-4-7(5-3-6)11(8,9)10/h5,7,15H,6,12H2,1-4H3;2-5H,1H3,(H,8,9,10)