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

Systemtic Name: 2-[2-(4-ethylpiperazin-4-ium-1-yl)-2-oxidanylidene-ethyl]isoindole-1,3-dione Openeye Name: 2-[2-(4-ethylpiperazin-4-ium-1-yl)-2-oxo-ethyl]isoindoline-1,3-dione CAS Name: 2-[2-(4-ethyl-1-piperazin-4-iumyl)-2-oxoethyl]isoindole-1,3-dione IUPAC Name: 2-[2-(4-ethylpiperazin-4-ium-1-yl)-2-oxoethyl]isoindole-1,3-dione Traditional Name: 2-[2-(4-ethylpiperazin-4-ium-1-yl)-2-keto-ethyl]isoindoline-1,3-quinone Formula: C16H20N3O3+ MolecularWeight: 302.3483

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+]1CCN(CC1)C(=O)CN2C(=O)C3=CC=CC=C3C2=O

Isomeric SMILES

CC[NH+]1CCN(CC1)C(=O)CN2C(=O)C3=CC=CC=C3C2=O

InChI

InChI=1S/C16H19N3O3/c1-2-17-7-9-18(10-8-17)14(20)11-19-15(21)12-5-3-4-6-13(12)16(19)22/h3-6H,2,7-11H2,1H3/p+1