2-tert-butyl-7-(1,4-diazepan-4-ium-1-yl)-5-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine

Systemtic Name: 2-tert-butyl-7-(1,4-diazepan-4-ium-1-yl)-5-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine Openeye Name: 2-tert-butyl-7-(1,4-diazepan-4-ium-1-yl)-5-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine CAS Name: 2-tert-butyl-7-(1,4-diazepan-4-ium-1-yl)-5-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine IUPAC Name: 2-tert-butyl-7-(1,4-diazepan-4-ium-1-yl)-5-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine Traditional Name: 2-tert-butyl-7-(1,4-diazepan-4-ium-1-yl)-5-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine Formula: C16H23F3N5+ MolecularWeight: 342.38253

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=NN2C(=C1)N=C(C=C2N3CCC[NH2+]CC3)C(F)(F)F

Isomeric SMILES

CC(C)(C)C1=NN2C(=C1)N=C(C=C2N3CCC[NH2+]CC3)C(F)(F)F

InChI

InChI=1S/C16H22F3N5/c1-15(2,3)11-9-13-21-12(16(17,18)19)10-14(24(13)22-11)23-7-4-5-20-6-8-23/h9-10,20H,4-8H2,1-3H3/p+1