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

Systemtic Name: 2-[2-[4-(phenylmethyl)piperazin-4-ium-1-yl]ethyl]isoindole-1,3-dione Openeye Name: 2-[2-(4-benzylpiperazin-4-ium-1-yl)ethyl]isoindoline-1,3-dione CAS Name: 2-[2-[4-(phenylmethyl)-1-piperazin-4-iumyl]ethyl]isoindole-1,3-dione IUPAC Name: 2-[2-(4-benzylpiperazin-4-ium-1-yl)ethyl]isoindole-1,3-dione Traditional Name: 2-[2-(4-benzylpiperazin-4-ium-1-yl)ethyl]isoindoline-1,3-quinone Formula: C21H24N3O2+ MolecularWeight: 350.43416

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H23N3O2/c25-20-18-8-4-5-9-19(18)21(26)24(20)15-14-22-10-12-23(13-11-22)16-17-6-2-1-3-7-17/h1-9H,10-16H2/p+1