2-[6-(4-pyrimidin-2-ylpiperazin-1-yl)pyridin-1-ium-3-yl]-1H-benzimidazole

Systemtic Name: 2-[6-(4-pyrimidin-2-ylpiperazin-1-yl)pyridin-1-ium-3-yl]-1H-benzimidazole Openeye Name: 2-[6-(4-pyrimidin-2-ylpiperazin-1-yl)pyridin-1-ium-3-yl]-1H-benzimidazole CAS Name: 2-[6-[4-(2-pyrimidinyl)-1-piperazinyl]-3-pyridin-1-iumyl]-1H-benzimidazole IUPAC Name: 2-[6-(4-pyrimidin-2-ylpiperazin-1-yl)pyridin-1-ium-3-yl]-1H-benzimidazole Traditional Name: 2-[6-[4-(2-pyrimidyl)piperazino]pyridin-1-ium-3-yl]-1H-benzimidazole Formula: C20H20N7+ MolecularWeight: 358.4197

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=[NH+]C=C(C=C2)C3=NC4=CC=CC=C4N3)C5=NC=CC=N5

Isomeric SMILES

C1CN(CCN1C2=[NH+]C=C(C=C2)C3=NC4=CC=CC=C4N3)C5=NC=CC=N5

InChI

InChI=1S/C20H19N7/c1-2-5-17-16(4-1)24-19(25-17)15-6-7-18(23-14-15)26-10-12-27(13-11-26)20-21-8-3-9-22-20/h1-9,14H,10-13H2,(H,24,25)/p+1