2-[4-(4-methylpiperazin-1-ium-1-yl)butyl]isoindole-1,3-dione

Systemtic Name: 2-[4-(4-methylpiperazin-1-ium-1-yl)butyl]isoindole-1,3-dione Openeye Name: 2-[4-(4-methylpiperazin-1-ium-1-yl)butyl]isoindoline-1,3-dione CAS Name: 2-[4-(4-methyl-1-piperazin-1-iumyl)butyl]isoindole-1,3-dione IUPAC Name: 2-[4-(4-methylpiperazin-1-ium-1-yl)butyl]isoindole-1,3-dione Traditional Name: 2-[4-(4-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:

CN1CC[NH+](CC1)CCCCN2C(=O)C3=CC=CC=C3C2=O

Isomeric SMILES

CN1CC[NH+](CC1)CCCCN2C(=O)C3=CC=CC=C3C2=O

InChI

InChI=1S/C17H23N3O2/c1-18-10-12-19(13-11-18)8-4-5-9-20-16(21)14-6-2-3-7-15(14)17(20)22/h2-3,6-7H,4-5,8-13H2,1H3/p+1