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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CCC2=CC=CC=C2)CN3C(=O)C4=CC=CC=C4C3=O

Isomeric SMILES

C1CN(CC[NH+]1CCC2=CC=CC=C2)CN3C(=O)C4=CC=CC=C4C3=O

InChI

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