2-[3-[4-(3-chlorophenyl)piperazin-1-ium-1-yl]propoxy]isoindole-1,3-dione

Systemtic Name: 2-[3-[4-(3-chlorophenyl)piperazin-1-ium-1-yl]propoxy]isoindole-1,3-dione Openeye Name: 2-[3-[4-(3-chlorophenyl)piperazin-1-ium-1-yl]propoxy]isoindoline-1,3-dione CAS Name: 2-[3-[4-(3-chlorophenyl)-1-piperazin-1-iumyl]propoxy]isoindole-1,3-dione IUPAC Name: 2-[3-[4-(3-chlorophenyl)piperazin-1-ium-1-yl]propoxy]isoindole-1,3-dione Traditional Name: 2-[3-[4-(3-chlorophenyl)piperazin-1-ium-1-yl]propoxy]isoindoline-1,3-quinone Formula: C21H23ClN3O3+ MolecularWeight: 400.87862

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CCCON2C(=O)C3=CC=CC=C3C2=O)C4=CC(=CC=C4)Cl

Isomeric SMILES

C1CN(CC[NH+]1CCCON2C(=O)C3=CC=CC=C3C2=O)C4=CC(=CC=C4)Cl

InChI

InChI=1S/C21H22ClN3O3/c22-16-5-3-6-17(15-16)24-12-10-23(11-13-24)9-4-14-28-25-20(26)18-7-1-2-8-19(18)21(25)27/h1-3,5-8,15H,4,9-14H2/p+1