3-[1-[2-(1,3-dihydroisoindol-2-yl)ethyl]piperazin-1-ium-1-yl]-2H-indazole

Systemtic Name: 3-[1-[2-(1,3-dihydroisoindol-2-yl)ethyl]piperazin-1-ium-1-yl]-2H-indazole Openeye Name: 3-[1-(2-isoindolin-2-ylethyl)piperazin-1-ium-1-yl]-2H-indazole CAS Name: 3-[1-[2-(1,3-dihydroisoindol-2-yl)ethyl]-1-piperazin-1-iumyl]-2H-indazole IUPAC Name: 3-[1-[2-(1,3-dihydroisoindol-2-yl)ethyl]piperazin-1-ium-1-yl]-2H-indazole Traditional Name: 3-[1-(2-isoindolin-2-ylethyl)piperazin-1-ium-1-yl]-2H-indazole Formula: C21H26N5+ MolecularWeight: 348.46464

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Descriptors Computed from Structure

Canonical SMILES:

C1C[N+](CCN1)(CCN2CC3=CC=CC=C3C2)C4=C5C=CC=CC5=NN4

Isomeric SMILES

C1C[N+](CCN1)(CCN2CC3=CC=CC=C3C2)C4=C5C=CC=CC5=NN4

InChI

InChI=1S/C21H26N5/c1-2-6-18-16-25(15-17(18)5-1)11-14-26(12-9-22-10-13-26)21-19-7-3-4-8-20(19)23-24-21/h1-8,22H,9-16H2,(H,23,24)/q+1