2-[4-(1,3-dimethylpyrazolo[3,4-b]pyridin-5-yl)carbonylpiperazin-1-ium-1-yl]-1-pyrrolidin-1-yl-ethanone

Systemtic Name: 2-[4-(1,3-dimethylpyrazolo[3,4-b]pyridin-5-yl)carbonylpiperazin-1-ium-1-yl]-1-pyrrolidin-1-yl-ethanone Openeye Name: 2-[4-(1,3-dimethylpyrazolo[3,4-b]pyridine-5-carbonyl)piperazin-1-ium-1-yl]-1-pyrrolidin-1-yl-ethanone CAS Name: 2-[4-[(1,3-dimethyl-5-pyrazolo[3,4-b]pyridinyl)-oxomethyl]-1-piperazin-1-iumyl]-1-(1-pyrrolidinyl)ethanone IUPAC Name: 2-[4-(1,3-dimethylpyrazolo[3,4-b]pyridine-5-carbonyl)piperazin-1-ium-1-yl]-1-pyrrolidin-1-ylethanone Traditional Name: 2-[4-(1,3-dimethylpyrazolo[3,4-b]pyridine-5-carbonyl)piperazin-1-ium-1-yl]-1-pyrrolidino-ethanone Formula: C19H27N6O2+ MolecularWeight: 371.45668

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C2=NC=C(C=C12)C(=O)N3CC[NH+](CC3)CC(=O)N4CCCC4)C

Isomeric SMILES

CC1=NN(C2=NC=C(C=C12)C(=O)N3CC[NH+](CC3)CC(=O)N4CCCC4)C

InChI

InChI=1S/C19H26N6O2/c1-14-16-11-15(12-20-18(16)22(2)21-14)19(27)25-9-7-23(8-10-25)13-17(26)24-5-3-4-6-24/h11-12H,3-10,13H2,1-2H3/p+1