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

Systemtic Name: 5-bromanyl-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]-5-bromo-isoindoline-1,3-dione CAS Name: 5-bromo-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]-5-bromoisoindole-1,3-dione Traditional Name: 2-[3-(4-benzylpiperazin-4-ium-1-yl)-3-keto-propyl]-5-bromo-isoindoline-1,3-quinone Formula: C22H23BrN3O3+ MolecularWeight: 457.34032

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC=CC=C2)C(=O)CCN3C(=O)C4=C(C3=O)C=C(C=C4)Br

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC=CC=C2)C(=O)CCN3C(=O)C4=C(C3=O)C=C(C=C4)Br

InChI

InChI=1S/C22H22BrN3O3/c23-17-6-7-18-19(14-17)22(29)26(21(18)28)9-8-20(27)25-12-10-24(11-13-25)15-16-4-2-1-3-5-16/h1-7,14H,8-13,15H2/p+1