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

Systemtic Name: 2-[3-[4-[(4-chlorophenyl)methyl]piperazin-4-ium-1-yl]-3-oxidanylidene-propyl]isoindole-1,3-dione Openeye Name: 2-[3-[4-[(4-chlorophenyl)methyl]piperazin-4-ium-1-yl]-3-oxo-propyl]isoindoline-1,3-dione CAS Name: 2-[3-[4-[(4-chlorophenyl)methyl]-1-piperazin-4-iumyl]-3-oxopropyl]isoindole-1,3-dione IUPAC Name: 2-[3-[4-[(4-chlorophenyl)methyl]piperazin-4-ium-1-yl]-3-oxopropyl]isoindole-1,3-dione Traditional Name: 2-[3-[4-(4-chlorobenzyl)piperazin-4-ium-1-yl]-3-keto-propyl]isoindoline-1,3-quinone Formula: C22H23ClN3O3+ MolecularWeight: 412.88932

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H22ClN3O3/c23-17-7-5-16(6-8-17)15-24-11-13-25(14-12-24)20(27)9-10-26-21(28)18-3-1-2-4-19(18)22(26)29/h1-8H,9-15H2/p+1