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

Systemtic Name: 2-[4-(4-methylpiperazin-4-ium-1-yl)-4-oxidanylidene-butyl]isoindole-1,3-dione Openeye Name: 2-[4-(4-methylpiperazin-4-ium-1-yl)-4-oxo-butyl]isoindoline-1,3-dione CAS Name: 2-[4-(4-methyl-1-piperazin-4-iumyl)-4-oxobutyl]isoindole-1,3-dione IUPAC Name: 2-[4-(4-methylpiperazin-4-ium-1-yl)-4-oxobutyl]isoindole-1,3-dione Traditional Name: 2-[4-keto-4-(4-methylpiperazin-4-ium-1-yl)butyl]isoindoline-1,3-quinone Formula: C17H22N3O3+ MolecularWeight: 316.37488

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)C(=O)CCCN2C(=O)C3=CC=CC=C3C2=O

Isomeric SMILES

C[NH+]1CCN(CC1)C(=O)CCCN2C(=O)C3=CC=CC=C3C2=O

InChI

InChI=1S/C17H21N3O3/c1-18-9-11-19(12-10-18)15(21)7-4-8-20-16(22)13-5-2-3-6-14(13)17(20)23/h2-3,5-6H,4,7-12H2,1H3/p+1