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

Systemtic Name: 2-[[4-(phenylmethyl)piperazin-4-ium-1-yl]methyl]isoindole-1,3-dione Openeye Name: 2-[(4-benzylpiperazin-4-ium-1-yl)methyl]isoindoline-1,3-dione CAS Name: 2-[[4-(phenylmethyl)-1-piperazin-4-iumyl]methyl]isoindole-1,3-dione IUPAC Name: 2-[(4-benzylpiperazin-4-ium-1-yl)methyl]isoindole-1,3-dione Traditional Name: 2-[(4-benzylpiperazin-4-ium-1-yl)methyl]isoindoline-1,3-quinone Formula: C20H22N3O2+ MolecularWeight: 336.40758

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H21N3O2/c24-19-17-8-4-5-9-18(17)20(25)23(19)15-22-12-10-21(11-13-22)14-16-6-2-1-3-7-16/h1-9H,10-15H2/p+1