dimethyl-[1-[[(6-methyl-1-propan-2-yl-pyrazolo[3,4-b]pyridin-5-yl)carbonylamino]methyl]cycloheptyl]azanium

Systemtic Name: dimethyl-[1-[[(6-methyl-1-propan-2-yl-pyrazolo[3,4-b]pyridin-5-yl)carbonylamino]methyl]cycloheptyl]azanium Openeye Name: [1-[[(1-isopropyl-6-methyl-pyrazolo[3,4-b]pyridine-5-carbonyl)amino]methyl]cycloheptyl]-dimethyl-ammonium CAS Name: dimethyl-[1-[[[(6-methyl-1-propan-2-yl-5-pyrazolo[3,4-b]pyridinyl)-oxomethyl]amino]methyl]cycloheptyl]ammonium IUPAC Name: dimethyl-[1-[[(6-methyl-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carbonyl)amino]methyl]cycloheptyl]azanium Traditional Name: [1-[[(1-isopropyl-6-methyl-pyrazolo[3,4-b]pyridine-5-carbonyl)amino]methyl]cycloheptyl]-dimethyl-ammonium Formula: C21H34N5O+ MolecularWeight: 372.52756

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C2C=NN(C2=N1)C(C)C)C(=O)NCC3(CCCCCC3)[NH+](C)C

Isomeric SMILES

CC1=C(C=C2C=NN(C2=N1)C(C)C)C(=O)NCC3(CCCCCC3)[NH+](C)C

InChI

InChI=1S/C21H33N5O/c1-15(2)26-19-17(13-23-26)12-18(16(3)24-19)20(27)22-14-21(25(4)5)10-8-6-7-9-11-21/h12-13,15H,6-11,14H2,1-5H3,(H,22,27)/p+1