3-[[5-tert-butyl-3-(4-chlorophenyl)-2-methyl-pyrazolo[1,5-a]pyrimidin-7-yl]amino]propyl-dimethyl-azanium

Systemtic Name: 3-[[5-tert-butyl-3-(4-chlorophenyl)-2-methyl-pyrazolo[1,5-a]pyrimidin-7-yl]amino]propyl-dimethyl-azanium Openeye Name: 3-[[5-tert-butyl-3-(4-chlorophenyl)-2-methyl-pyrazolo[1,5-a]pyrimidin-7-yl]amino]propyl-dimethyl-ammonium CAS Name: 3-[[5-tert-butyl-3-(4-chlorophenyl)-2-methyl-7-pyrazolo[1,5-a]pyrimidinyl]amino]propyl-dimethylammonium IUPAC Name: 3-[[5-tert-butyl-3-(4-chlorophenyl)-2-methylpyrazolo[1,5-a]pyrimidin-7-yl]amino]propyl-dimethylazanium Traditional Name: 3-[[5-tert-butyl-3-(4-chlorophenyl)-2-methyl-pyrazolo[1,5-a]pyrimidin-7-yl]amino]propyl-dimethyl-ammonium Formula: C22H31ClN5+ MolecularWeight: 400.96804

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN2C(=CC(=NC2=C1C3=CC=C(C=C3)Cl)C(C)(C)C)NCCC[NH+](C)C

Isomeric SMILES

CC1=NN2C(=CC(=NC2=C1C3=CC=C(C=C3)Cl)C(C)(C)C)NCCC[NH+](C)C

InChI

InChI=1S/C22H30ClN5/c1-15-20(16-8-10-17(23)11-9-16)21-25-18(22(2,3)4)14-19(28(21)26-15)24-12-7-13-27(5)6/h8-11,14,24H,7,12-13H2,1-6H3/p+1