2-(2-chlorophenyl)-5-(4-pyridin-1-ium-2-ylpiperazin-1-yl)carbonyl-isoindole-1,3-dione

Systemtic Name: 2-(2-chlorophenyl)-5-(4-pyridin-1-ium-2-ylpiperazin-1-yl)carbonyl-isoindole-1,3-dione Openeye Name: 2-(2-chlorophenyl)-5-(4-pyridin-1-ium-2-ylpiperazine-1-carbonyl)isoindoline-1,3-dione CAS Name: 2-(2-chlorophenyl)-5-[oxo-[4-(2-pyridin-1-iumyl)-1-piperazinyl]methyl]isoindole-1,3-dione IUPAC Name: 2-(2-chlorophenyl)-5-(4-pyridin-1-ium-2-ylpiperazine-1-carbonyl)isoindole-1,3-dione Traditional Name: 2-(2-chlorophenyl)-5-(4-pyridin-1-ium-2-ylpiperazine-1-carbonyl)isoindoline-1,3-quinone Formula: C24H20ClN4O3+ MolecularWeight: 447.8936

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=CC=[NH+]2)C(=O)C3=CC4=C(C=C3)C(=O)N(C4=O)C5=CC=CC=C5Cl

Isomeric SMILES

C1CN(CCN1C2=CC=CC=[NH+]2)C(=O)C3=CC4=C(C=C3)C(=O)N(C4=O)C5=CC=CC=C5Cl

InChI

InChI=1S/C24H19ClN4O3/c25-19-5-1-2-6-20(19)29-23(31)17-9-8-16(15-18(17)24(29)32)22(30)28-13-11-27(12-14-28)21-7-3-4-10-26-21/h1-10,15H,11-14H2/p+1