1,3-dimethyl-4-(piperazin-4-ium-1-ylmethyl)-2H-pyrazolo[3,4-b]pyridin-6-one

Systemtic Name: 1,3-dimethyl-4-(piperazin-4-ium-1-ylmethyl)-2H-pyrazolo[3,4-b]pyridin-6-one Openeye Name: 1,3-dimethyl-4-(piperazin-4-ium-1-ylmethyl)-2H-pyrazolo[3,4-b]pyridin-6-one CAS Name: 1,3-dimethyl-4-(1-piperazin-4-iumylmethyl)-2H-pyrazolo[3,4-b]pyridin-6-one IUPAC Name: 1,3-dimethyl-4-(piperazin-4-ium-1-ylmethyl)-2H-pyrazolo[3,4-b]pyridin-6-one Traditional Name: 1,3-dimethyl-4-(piperazin-4-ium-1-ylmethyl)-2H-pyrazolo[3,4-b]pyridin-6-one Formula: C13H20N5O+ MolecularWeight: 262.3308

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H19N5O/c1-9-12-10(8-18-5-3-14-4-6-18)7-11(19)15-13(12)17(2)16-9/h7,14,16H,3-6,8H2,1-2H3/p+1