2-[3-(4-ethylpiperazin-4-ium-1-yl)-3-oxidanylidene-propyl]isoindole-1,3-dione

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

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+]1CCN(CC1)C(=O)CCN2C(=O)C3=CC=CC=C3C2=O

Isomeric SMILES

CC[NH+]1CCN(CC1)C(=O)CCN2C(=O)C3=CC=CC=C3C2=O

InChI

InChI=1S/C17H21N3O3/c1-2-18-9-11-19(12-10-18)15(21)7-8-20-16(22)13-5-3-4-6-14(13)17(20)23/h3-6H,2,7-12H2,1H3/p+1