2-[3-(1-methylpiperazin-1-ium-1-yl)propyl]isoindole-1,3-dione

Systemtic Name: 2-[3-(1-methylpiperazin-1-ium-1-yl)propyl]isoindole-1,3-dione Openeye Name: 2-[3-(1-methylpiperazin-1-ium-1-yl)propyl]isoindoline-1,3-dione CAS Name: 2-[3-(1-methyl-1-piperazin-1-iumyl)propyl]isoindole-1,3-dione IUPAC Name: 2-[3-(1-methylpiperazin-1-ium-1-yl)propyl]isoindole-1,3-dione Traditional Name: 2-[3-(1-methylpiperazin-1-ium-1-yl)propyl]isoindoline-1,3-quinone Formula: C16H22N3O2+ MolecularWeight: 288.36478

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1(CCNCC1)CCCN2C(=O)C3=CC=CC=C3C2=O

Isomeric SMILES

C[N+]1(CCNCC1)CCCN2C(=O)C3=CC=CC=C3C2=O

InChI

InChI=1S/C16H22N3O2/c1-19(11-7-17-8-12-19)10-4-9-18-15(20)13-5-2-3-6-14(13)16(18)21/h2-3,5-6,17H,4,7-12H2,1H3/q+1