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

Systemtic Name: 3-[(5-tert-butyl-3-phenyl-pyrazolo[1,5-a]pyrimidin-7-yl)amino]propyl-dimethyl-azanium Openeye Name: 3-[(5-tert-butyl-3-phenyl-pyrazolo[1,5-a]pyrimidin-7-yl)amino]propyl-dimethyl-ammonium CAS Name: 3-[(5-tert-butyl-3-phenyl-7-pyrazolo[1,5-a]pyrimidinyl)amino]propyl-dimethylammonium IUPAC Name: 3-[(5-tert-butyl-3-phenylpyrazolo[1,5-a]pyrimidin-7-yl)amino]propyl-dimethylazanium Traditional Name: 3-[(5-tert-butyl-3-phenyl-pyrazolo[1,5-a]pyrimidin-7-yl)amino]propyl-dimethyl-ammonium Formula: C21H30N5+ MolecularWeight: 352.4964

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H29N5/c1-21(2,3)18-14-19(22-12-9-13-25(4)5)26-20(24-18)17(15-23-26)16-10-7-6-8-11-16/h6-8,10-11,14-15,22H,9,12-13H2,1-5H3/p+1