1-phenyl-2-[4-(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)butyl]pyridazine-3,6-dione

Systemtic Name: 1-phenyl-2-[4-(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)butyl]pyridazine-3,6-dione Openeye Name: 1-phenyl-2-[4-(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)butyl]pyridazine-3,6-dione CAS Name: 1-phenyl-2-[4-[4-(2-pyrimidinyl)-1-piperazin-1-iumyl]butyl]pyridazine-3,6-dione IUPAC Name: 1-phenyl-2-[4-(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)butyl]pyridazine-3,6-dione Traditional Name: 1-phenyl-2-[4-[4-(2-pyrimidyl)piperazin-1-ium-1-yl]butyl]pyridazine-3,6-quinone Formula: C22H27N6O2+ MolecularWeight: 407.48878

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CCCCN2C(=O)C=CC(=O)N2C3=CC=CC=C3)C4=NC=CC=N4

Isomeric SMILES

C1CN(CC[NH+]1CCCCN2C(=O)C=CC(=O)N2C3=CC=CC=C3)C4=NC=CC=N4

InChI

InChI=1S/C22H26N6O2/c29-20-9-10-21(30)28(19-7-2-1-3-8-19)27(20)14-5-4-13-25-15-17-26(18-16-25)22-23-11-6-12-24-22/h1-3,6-12H,4-5,13-18H2/p+1