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

Systemtic Name: 2-[2-oxidanylidene-2-[4-(phenylmethyl)piperazin-4-ium-1-yl]ethyl]isoindole-1,3-dione Openeye Name: 2-[2-(4-benzylpiperazin-4-ium-1-yl)-2-oxo-ethyl]isoindoline-1,3-dione CAS Name: 2-[2-oxo-2-[4-(phenylmethyl)-1-piperazin-4-iumyl]ethyl]isoindole-1,3-dione IUPAC Name: 2-[2-(4-benzylpiperazin-4-ium-1-yl)-2-oxoethyl]isoindole-1,3-dione Traditional Name: 2-[2-(4-benzylpiperazin-4-ium-1-yl)-2-keto-ethyl]isoindoline-1,3-quinone Formula: C21H22N3O3+ MolecularWeight: 364.41768

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC=CC=C2)C(=O)CN3C(=O)C4=CC=CC=C4C3=O

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC=CC=C2)C(=O)CN3C(=O)C4=CC=CC=C4C3=O

InChI

InChI=1S/C21H21N3O3/c25-19(15-24-20(26)17-8-4-5-9-18(17)21(24)27)23-12-10-22(11-13-23)14-16-6-2-1-3-7-16/h1-9H,10-15H2/p+1