3-[2-(4-pyrimidin-2-yl-1,4-diazepan-1-ium-1-yl)ethyl]-2H-indazole

Systemtic Name: 3-[2-(4-pyrimidin-2-yl-1,4-diazepan-1-ium-1-yl)ethyl]-2H-indazole Openeye Name: 3-[2-(4-pyrimidin-2-yl-1,4-diazepan-1-ium-1-yl)ethyl]-2H-indazole CAS Name: 3-[2-[4-(2-pyrimidinyl)-1,4-diazepan-1-ium-1-yl]ethyl]-2H-indazole IUPAC Name: 3-[2-(4-pyrimidin-2-yl-1,4-diazepan-1-ium-1-yl)ethyl]-2H-indazole Traditional Name: 3-[2-[4-(2-pyrimidyl)-1,4-diazepan-1-ium-1-yl]ethyl]-2H-indazole Formula: C18H23N6+ MolecularWeight: 323.41542

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCN(C1)C2=NC=CC=N2)CCC3=C4C=CC=CC4=NN3

Isomeric SMILES

C1C[NH+](CCN(C1)C2=NC=CC=N2)CCC3=C4C=CC=CC4=NN3

InChI

InChI=1S/C18H22N6/c1-2-6-16-15(5-1)17(22-21-16)7-12-23-10-4-11-24(14-13-23)18-19-8-3-9-20-18/h1-3,5-6,8-9H,4,7,10-14H2,(H,21,22)/p+1