3-[[5-tert-butyl-3-(4-chlorophenyl)pyrazolo[1,5-a]pyrimidin-7-yl]amino]propyl-dimethyl-azanium

Systemtic Name: 3-[[5-tert-butyl-3-(4-chlorophenyl)pyrazolo[1,5-a]pyrimidin-7-yl]amino]propyl-dimethyl-azanium Openeye Name: 3-[[5-tert-butyl-3-(4-chlorophenyl)pyrazolo[1,5-a]pyrimidin-7-yl]amino]propyl-dimethyl-ammonium CAS Name: 3-[[5-tert-butyl-3-(4-chlorophenyl)-7-pyrazolo[1,5-a]pyrimidinyl]amino]propyl-dimethylammonium IUPAC Name: 3-[[5-tert-butyl-3-(4-chlorophenyl)pyrazolo[1,5-a]pyrimidin-7-yl]amino]propyl-dimethylazanium Traditional Name: 3-[[5-tert-butyl-3-(4-chlorophenyl)pyrazolo[1,5-a]pyrimidin-7-yl]amino]propyl-dimethyl-ammonium Formula: C21H29ClN5+ MolecularWeight: 386.94146

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=NC2=C(C=NN2C(=C1)NCCC[NH+](C)C)C3=CC=C(C=C3)Cl

Isomeric SMILES

CC(C)(C)C1=NC2=C(C=NN2C(=C1)NCCC[NH+](C)C)C3=CC=C(C=C3)Cl

InChI

InChI=1S/C21H28ClN5/c1-21(2,3)18-13-19(23-11-6-12-26(4)5)27-20(25-18)17(14-24-27)15-7-9-16(22)10-8-15/h7-10,13-14,23H,6,11-12H2,1-5H3/p+1