3-[(6-cyclopropyl-1,3-dimethyl-pyrazolo[3,4-b]pyridin-4-yl)carbonylamino]propyl-methyl-(phenylmethyl)azanium

Systemtic Name: 3-[(6-cyclopropyl-1,3-dimethyl-pyrazolo[3,4-b]pyridin-4-yl)carbonylamino]propyl-methyl-(phenylmethyl)azanium Openeye Name: benzyl-[3-[(6-cyclopropyl-1,3-dimethyl-pyrazolo[3,4-b]pyridine-4-carbonyl)amino]propyl]-methyl-ammonium CAS Name: 3-[[(6-cyclopropyl-1,3-dimethyl-4-pyrazolo[3,4-b]pyridinyl)-oxomethyl]amino]propyl-methyl-(phenylmethyl)ammonium IUPAC Name: benzyl-[3-[(6-cyclopropyl-1,3-dimethylpyrazolo[3,4-b]pyridine-4-carbonyl)amino]propyl]-methylazanium Traditional Name: benzyl-[3-[(6-cyclopropyl-1,3-dimethyl-pyrazolo[3,4-b]pyridine-4-carbonyl)amino]propyl]-methyl-ammonium Formula: C23H30N5O+ MolecularWeight: 392.5172

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C2=C1C(=CC(=N2)C3CC3)C(=O)NCCC[NH+](C)CC4=CC=CC=C4)C

Isomeric SMILES

CC1=NN(C2=C1C(=CC(=N2)C3CC3)C(=O)NCCC[NH+](C)CC4=CC=CC=C4)C

InChI

InChI=1S/C23H29N5O/c1-16-21-19(14-20(18-10-11-18)25-22(21)28(3)26-16)23(29)24-12-7-13-27(2)15-17-8-5-4-6-9-17/h4-6,8-9,14,18H,7,10-13,15H2,1-3H3,(H,24,29)/p+1