(3-tert-butyl-6-chloranyl-1-phenyl-pyrazolo[3,4-b]pyridin-5-yl)methyl-cyclohexyl-azanium

Systemtic Name: (3-tert-butyl-6-chloranyl-1-phenyl-pyrazolo[3,4-b]pyridin-5-yl)methyl-cyclohexyl-azanium Openeye Name: (3-tert-butyl-6-chloro-1-phenyl-pyrazolo[3,4-b]pyridin-5-yl)methyl-cyclohexyl-ammonium CAS Name: (3-tert-butyl-6-chloro-1-phenyl-5-pyrazolo[3,4-b]pyridinyl)methyl-cyclohexylammonium IUPAC Name: (3-tert-butyl-6-chloro-1-phenylpyrazolo[3,4-b]pyridin-5-yl)methyl-cyclohexylazanium Traditional Name: (3-tert-butyl-6-chloro-1-phenyl-pyrazolo[3,4-b]pyridin-5-yl)methyl-cyclohexyl-ammonium Formula: C23H30ClN4+ MolecularWeight: 397.9641

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=NN(C2=NC(=C(C=C12)C[NH2+]C3CCCCC3)Cl)C4=CC=CC=C4

Isomeric SMILES

CC(C)(C)C1=NN(C2=NC(=C(C=C12)C[NH2+]C3CCCCC3)Cl)C4=CC=CC=C4

InChI

InChI=1S/C23H29ClN4/c1-23(2,3)20-19-14-16(15-25-17-10-6-4-7-11-17)21(24)26-22(19)28(27-20)18-12-8-5-9-13-18/h5,8-9,12-14,17,25H,4,6-7,10-11,15H2,1-3H3/p+1