2-phenyl-4-(4-pyridin-1-ium-2-ylpiperazin-1-yl)carbonyl-phthalazin-1-one

Systemtic Name: 2-phenyl-4-(4-pyridin-1-ium-2-ylpiperazin-1-yl)carbonyl-phthalazin-1-one Openeye Name: 2-phenyl-4-(4-pyridin-1-ium-2-ylpiperazine-1-carbonyl)phthalazin-1-one CAS Name: 4-[oxo-[4-(2-pyridin-1-iumyl)-1-piperazinyl]methyl]-2-phenyl-1-phthalazinone IUPAC Name: 2-phenyl-4-(4-pyridin-1-ium-2-ylpiperazine-1-carbonyl)phthalazin-1-one Traditional Name: 2-phenyl-4-(4-pyridin-1-ium-2-ylpiperazine-1-carbonyl)phthalazin-1-one Formula: C24H22N5O2+ MolecularWeight: 412.46378

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=CC=[NH+]2)C(=O)C3=NN(C(=O)C4=CC=CC=C43)C5=CC=CC=C5

Isomeric SMILES

C1CN(CCN1C2=CC=CC=[NH+]2)C(=O)C3=NN(C(=O)C4=CC=CC=C43)C5=CC=CC=C5

InChI

InChI=1S/C24H21N5O2/c30-23-20-11-5-4-10-19(20)22(26-29(23)18-8-2-1-3-9-18)24(31)28-16-14-27(15-17-28)21-12-6-7-13-25-21/h1-13H,14-17H2/p+1