4-[6-(1-methylpiperazin-1-ium-1-yl)hexyl]isoindole-1,3-dione

Systemtic Name: 4-[6-(1-methylpiperazin-1-ium-1-yl)hexyl]isoindole-1,3-dione Openeye Name: 4-[6-(1-methylpiperazin-1-ium-1-yl)hexyl]isoindoline-1,3-dione CAS Name: 4-[6-(1-methyl-1-piperazin-1-iumyl)hexyl]isoindole-1,3-dione IUPAC Name: 4-[6-(1-methylpiperazin-1-ium-1-yl)hexyl]isoindole-1,3-dione Traditional Name: 4-[6-(1-methylpiperazin-1-ium-1-yl)hexyl]isoindoline-1,3-quinone Formula: C19H28N3O2+ MolecularWeight: 330.44452

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1(CCNCC1)CCCCCCC2=CC=CC3=C2C(=O)NC3=O

Isomeric SMILES

C[N+]1(CCNCC1)CCCCCCC2=CC=CC3=C2C(=O)NC3=O

InChI

InChI=1S/C19H27N3O2/c1-22(13-10-20-11-14-22)12-5-3-2-4-7-15-8-6-9-16-17(15)19(24)21-18(16)23/h6,8-9,20H,2-5,7,10-14H2,1H3/p+1