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

Systemtic Name: 4-[4-(1-methylpiperazin-1-ium-1-yl)butyl]isoindole-1,3-dione Openeye Name: 4-[4-(1-methylpiperazin-1-ium-1-yl)butyl]isoindoline-1,3-dione CAS Name: 4-[4-(1-methyl-1-piperazin-1-iumyl)butyl]isoindole-1,3-dione IUPAC Name: 4-[4-(1-methylpiperazin-1-ium-1-yl)butyl]isoindole-1,3-dione Traditional Name: 4-[4-(1-methylpiperazin-1-ium-1-yl)butyl]isoindoline-1,3-quinone Formula: C17H24N3O2+ MolecularWeight: 302.39136

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1(CCNCC1)CCCCC2=CC=CC3=C2C(=O)NC3=O

Isomeric SMILES

C[N+]1(CCNCC1)CCCCC2=CC=CC3=C2C(=O)NC3=O

InChI

InChI=1S/C17H23N3O2/c1-20(11-8-18-9-12-20)10-3-2-5-13-6-4-7-14-15(13)17(22)19-16(14)21/h4,6-7,18H,2-3,5,8-12H2,1H3/p+1