2-[[1-(4-chlorophenyl)pyrazolo[3,4-d]pyrimidin-4-yl]-ethyl-amino]ethyl-dimethyl-azanium

Systemtic Name: 2-[[1-(4-chlorophenyl)pyrazolo[3,4-d]pyrimidin-4-yl]-ethyl-amino]ethyl-dimethyl-azanium Openeye Name: 2-[[1-(4-chlorophenyl)pyrazolo[3,4-d]pyrimidin-4-yl]-ethyl-amino]ethyl-dimethyl-ammonium CAS Name: 2-[[1-(4-chlorophenyl)-4-pyrazolo[3,4-d]pyrimidinyl]-ethylamino]ethyl-dimethylammonium IUPAC Name: 2-[[1-(4-chlorophenyl)pyrazolo[3,4-d]pyrimidin-4-yl]-ethylamino]ethyl-dimethylazanium Traditional Name: 2-[[1-(4-chlorophenyl)pyrazolo[3,4-d]pyrimidin-4-yl]-ethyl-amino]ethyl-dimethyl-ammonium Formula: C17H22ClN6+ MolecularWeight: 345.84978

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN(CC[NH+](C)C)C1=NC=NC2=C1C=NN2C3=CC=C(C=C3)Cl

Isomeric SMILES

CCN(CC[NH+](C)C)C1=NC=NC2=C1C=NN2C3=CC=C(C=C3)Cl

InChI

InChI=1S/C17H21ClN6/c1-4-23(10-9-22(2)3)16-15-11-21-24(17(15)20-12-19-16)14-7-5-13(18)6-8-14/h5-8,11-12H,4,9-10H2,1-3H3/p+1