1-tert-butyl-3-methyl-5-(piperazin-4-ium-1-ylmethyl)-2H-pyrazolo[3,4-b]pyridin-6-one

Systemtic Name: 1-tert-butyl-3-methyl-5-(piperazin-4-ium-1-ylmethyl)-2H-pyrazolo[3,4-b]pyridin-6-one Openeye Name: 1-tert-butyl-3-methyl-5-(piperazin-4-ium-1-ylmethyl)-2H-pyrazolo[3,4-b]pyridin-6-one CAS Name: 1-tert-butyl-3-methyl-5-(1-piperazin-4-iumylmethyl)-2H-pyrazolo[3,4-b]pyridin-6-one IUPAC Name: 1-tert-butyl-3-methyl-5-(piperazin-4-ium-1-ylmethyl)-2H-pyrazolo[3,4-b]pyridin-6-one Traditional Name: 1-tert-butyl-3-methyl-5-(piperazin-4-ium-1-ylmethyl)-2H-pyrazolo[3,4-b]pyridin-6-one Formula: C16H26N5O+ MolecularWeight: 304.41054

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C=C(C(=O)N=C2N(N1)C(C)(C)C)CN3CC[NH2+]CC3

Isomeric SMILES

CC1=C2C=C(C(=O)N=C2N(N1)C(C)(C)C)CN3CC[NH2+]CC3

InChI

InChI=1S/C16H25N5O/c1-11-13-9-12(10-20-7-5-17-6-8-20)15(22)18-14(13)21(19-11)16(2,3)4/h9,17,19H,5-8,10H2,1-4H3/p+1