2-[3-(4-phenylpiperazin-1-ium-1-yl)propyl]isoindole-1,3-dione

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

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CCCN2C(=O)C3=CC=CC=C3C2=O)C4=CC=CC=C4

Isomeric SMILES

C1CN(CC[NH+]1CCCN2C(=O)C3=CC=CC=C3C2=O)C4=CC=CC=C4

InChI

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