3-[2-(4-chlorophenyl)piperazin-1-yl]-1-ethyl-1-phenyl-pyrrol-1-ium-2,5-dione

Systemtic Name: 3-[2-(4-chlorophenyl)piperazin-1-yl]-1-ethyl-1-phenyl-pyrrol-1-ium-2,5-dione Openeye Name: 3-[2-(4-chlorophenyl)piperazin-1-yl]-1-ethyl-1-phenyl-pyrrol-1-ium-2,5-dione CAS Name: 3-[2-(4-chlorophenyl)-1-piperazinyl]-1-ethyl-1-phenylpyrrol-1-ium-2,5-dione IUPAC Name: 3-[2-(4-chlorophenyl)piperazin-1-yl]-1-ethyl-1-phenylpyrrol-1-ium-2,5-dione Traditional Name: 3-[2-(4-chlorophenyl)piperazino]-1-ethyl-1-phenyl-3-pyrrolin-1-ium-2,5-quinone Formula: C22H23ClN3O2+ MolecularWeight: 396.88992

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Descriptors Computed from Structure

Canonical SMILES:

CC[N+]1(C(=O)C=C(C1=O)N2CCNCC2C3=CC=C(C=C3)Cl)C4=CC=CC=C4

Isomeric SMILES

CC[N+]1(C(=O)C=C(C1=O)N2CCNCC2C3=CC=C(C=C3)Cl)C4=CC=CC=C4

InChI

InChI=1S/C22H23ClN3O2/c1-2-26(18-6-4-3-5-7-18)21(27)14-19(22(26)28)25-13-12-24-15-20(25)16-8-10-17(23)11-9-16/h3-11,14,20,24H,2,12-13,15H2,1H3/q+1