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

Systemtic Name: 4-[3-(1-methylpiperazin-1-ium-1-yl)propyl]isoindole-1,3-dione Openeye Name: 4-[3-(1-methylpiperazin-1-ium-1-yl)propyl]isoindoline-1,3-dione CAS Name: 4-[3-(1-methyl-1-piperazin-1-iumyl)propyl]isoindole-1,3-dione IUPAC Name: 4-[3-(1-methylpiperazin-1-ium-1-yl)propyl]isoindole-1,3-dione Traditional Name: 4-[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)CCCC2=CC=CC3=C2C(=O)NC3=O

Isomeric SMILES

C[N+]1(CCNCC1)CCCC2=CC=CC3=C2C(=O)NC3=O

InChI

InChI=1S/C16H21N3O2/c1-19(10-7-17-8-11-19)9-3-5-12-4-2-6-13-14(12)16(21)18-15(13)20/h2,4,6,17H,3,5,7-11H2,1H3/p+1