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

Systemtic Name: 2-[2-[4-[(3-chlorophenyl)methyl]piperazin-4-ium-1-yl]-2-oxidanylidene-ethyl]isoindole-1,3-dione Openeye Name: 2-[2-[4-[(3-chlorophenyl)methyl]piperazin-4-ium-1-yl]-2-oxo-ethyl]isoindoline-1,3-dione CAS Name: 2-[2-[4-[(3-chlorophenyl)methyl]-1-piperazin-4-iumyl]-2-oxoethyl]isoindole-1,3-dione IUPAC Name: 2-[2-[4-[(3-chlorophenyl)methyl]piperazin-4-ium-1-yl]-2-oxoethyl]isoindole-1,3-dione Traditional Name: 2-[2-[4-(3-chlorobenzyl)piperazin-4-ium-1-yl]-2-keto-ethyl]isoindoline-1,3-quinone Formula: C21H21ClN3O3+ MolecularWeight: 398.86274

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC(=CC=C2)Cl)C(=O)CN3C(=O)C4=CC=CC=C4C3=O

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC(=CC=C2)Cl)C(=O)CN3C(=O)C4=CC=CC=C4C3=O

InChI

InChI=1S/C21H20ClN3O3/c22-16-5-3-4-15(12-16)13-23-8-10-24(11-9-23)19(26)14-25-20(27)17-6-1-2-7-18(17)21(25)28/h1-7,12H,8-11,13-14H2/p+1