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

Systemtic Name: 2-[3-oxidanylidene-3-[4-(phenylmethyl)piperazin-4-ium-1-yl]propyl]isoindole-1,3-dione Openeye Name: 2-[3-(4-benzylpiperazin-4-ium-1-yl)-3-oxo-propyl]isoindoline-1,3-dione CAS Name: 2-[3-oxo-3-[4-(phenylmethyl)-1-piperazin-4-iumyl]propyl]isoindole-1,3-dione IUPAC Name: 2-[3-(4-benzylpiperazin-4-ium-1-yl)-3-oxopropyl]isoindole-1,3-dione Traditional Name: 2-[3-(4-benzylpiperazin-4-ium-1-yl)-3-keto-propyl]isoindoline-1,3-quinone Formula: C22H24N3O3+ MolecularWeight: 378.44426

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC=CC=C2)C(=O)CCN3C(=O)C4=CC=CC=C4C3=O

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC=CC=C2)C(=O)CCN3C(=O)C4=CC=CC=C4C3=O

InChI

InChI=1S/C22H23N3O3/c26-20(10-11-25-21(27)18-8-4-5-9-19(18)22(25)28)24-14-12-23(13-15-24)16-17-6-2-1-3-7-17/h1-9H,10-16H2/p+1