3-(4,6-dimethyl-1-propan-2-yl-pyrazolo[3,4-b]pyridin-5-yl)-1-(4-pyridin-1-ium-2-ylpiperazin-1-yl)propan-1-one

Systemtic Name: 3-(4,6-dimethyl-1-propan-2-yl-pyrazolo[3,4-b]pyridin-5-yl)-1-(4-pyridin-1-ium-2-ylpiperazin-1-yl)propan-1-one Openeye Name: 3-(1-isopropyl-4,6-dimethyl-pyrazolo[3,4-b]pyridin-5-yl)-1-(4-pyridin-1-ium-2-ylpiperazin-1-yl)propan-1-one CAS Name: 3-(4,6-dimethyl-1-propan-2-yl-5-pyrazolo[3,4-b]pyridinyl)-1-[4-(2-pyridin-1-iumyl)-1-piperazinyl]-1-propanone IUPAC Name: 3-(4,6-dimethyl-1-propan-2-ylpyrazolo[3,4-b]pyridin-5-yl)-1-(4-pyridin-1-ium-2-ylpiperazin-1-yl)propan-1-one Traditional Name: 3-(1-isopropyl-4,6-dimethyl-pyrazolo[3,4-b]pyridin-5-yl)-1-(4-pyridin-1-ium-2-ylpiperazino)propan-1-one Formula: C23H31N6O+ MolecularWeight: 407.53184

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C=NN(C2=NC(=C1CCC(=O)N3CCN(CC3)C4=CC=CC=[NH+]4)C)C(C)C

Isomeric SMILES

CC1=C2C=NN(C2=NC(=C1CCC(=O)N3CCN(CC3)C4=CC=CC=[NH+]4)C)C(C)C

InChI

InChI=1S/C23H30N6O/c1-16(2)29-23-20(15-25-29)17(3)19(18(4)26-23)8-9-22(30)28-13-11-27(12-14-28)21-7-5-6-10-24-21/h5-7,10,15-16H,8-9,11-14H2,1-4H3/p+1