3-[3-(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)propyl]-4,5,6,7-tetrahydro-1H-indazole

Systemtic Name: 3-[3-(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)propyl]-4,5,6,7-tetrahydro-1H-indazole Openeye Name: 3-[3-(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)propyl]-4,5,6,7-tetrahydro-1H-indazole CAS Name: 3-[3-[4-(2-pyrimidinyl)-1-piperazin-1-iumyl]propyl]-4,5,6,7-tetrahydro-1H-indazole IUPAC Name: 3-[3-(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)propyl]-4,5,6,7-tetrahydro-1H-indazole Traditional Name: 3-[3-[4-(2-pyrimidyl)piperazin-1-ium-1-yl]propyl]-4,5,6,7-tetrahydro-1H-indazole Formula: C18H27N6+ MolecularWeight: 327.44718

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCC2=C(C1)C(=NN2)CCC[NH+]3CCN(CC3)C4=NC=CC=N4

Isomeric SMILES

C1CCC2=C(C1)C(=NN2)CCC[NH+]3CCN(CC3)C4=NC=CC=N4

InChI

InChI=1S/C18H26N6/c1-2-6-16-15(5-1)17(22-21-16)7-3-10-23-11-13-24(14-12-23)18-19-8-4-9-20-18/h4,8-9H,1-3,5-7,10-14H2,(H,21,22)/p+1