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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC(CN2C(=O)C3=CC=CC=C3C2=O)O)C4=CC=CC=C4Cl

Isomeric SMILES

C1CN(CC[NH+]1C[C@@H](CN2C(=O)C3=CC=CC=C3C2=O)O)C4=CC=CC=C4Cl

InChI

InChI=1S/C21H22ClN3O3/c22-18-7-3-4-8-19(18)24-11-9-23(10-12-24)13-15(26)14-25-20(27)16-5-1-2-6-17(16)21(25)28/h1-8,15,26H,9-14H2/p+1/t15-/m0/s1