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

Systemtic Name: 1-phenyl-2-[3-(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)propyl]pyridazine-3,6-dione Openeye Name: 1-phenyl-2-[3-(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)propyl]pyridazine-3,6-dione CAS Name: 1-phenyl-2-[3-[4-(2-pyrimidinyl)-1-piperazin-1-iumyl]propyl]pyridazine-3,6-dione IUPAC Name: 1-phenyl-2-[3-(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)propyl]pyridazine-3,6-dione Traditional Name: 1-phenyl-2-[3-[4-(2-pyrimidyl)piperazin-1-ium-1-yl]propyl]pyridazine-3,6-quinone Formula: C21H25N6O2+ MolecularWeight: 393.4622

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CCCN2C(=O)C=CC(=O)N2C3=CC=CC=C3)C4=NC=CC=N4

Isomeric SMILES

C1CN(CC[NH+]1CCCN2C(=O)C=CC(=O)N2C3=CC=CC=C3)C4=NC=CC=N4

InChI

InChI=1S/C21H24N6O2/c28-19-8-9-20(29)27(18-6-2-1-3-7-18)26(19)13-5-12-24-14-16-25(17-15-24)21-22-10-4-11-23-21/h1-4,6-11H,5,12-17H2/p+1