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

Systemtic Name: 2-(phenylmethyl)-4-(4-pyridin-1-ium-4-ylpiperazin-1-yl)carbonyl-phthalazin-1-one Openeye Name: 2-benzyl-4-(4-pyridin-1-ium-4-ylpiperazine-1-carbonyl)phthalazin-1-one CAS Name: 4-[oxo-[4-(4-pyridin-1-iumyl)-1-piperazinyl]methyl]-2-(phenylmethyl)-1-phthalazinone IUPAC Name: 2-benzyl-4-(4-pyridin-1-ium-4-ylpiperazine-1-carbonyl)phthalazin-1-one Traditional Name: 2-benzyl-4-(4-pyridin-1-ium-4-ylpiperazine-1-carbonyl)phthalazin-1-one Formula: C25H24N5O2+ MolecularWeight: 426.49036

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=[NH+]C=C2)C(=O)C3=NN(C(=O)C4=CC=CC=C43)CC5=CC=CC=C5

Isomeric SMILES

C1CN(CCN1C2=CC=[NH+]C=C2)C(=O)C3=NN(C(=O)C4=CC=CC=C43)CC5=CC=CC=C5

InChI

InChI=1S/C25H23N5O2/c31-24-22-9-5-4-8-21(22)23(27-30(24)18-19-6-2-1-3-7-19)25(32)29-16-14-28(15-17-29)20-10-12-26-13-11-20/h1-13H,14-18H2/p+1