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

Systemtic Name: 2-ethyl-4-(4-pyridin-1-ium-2-ylpiperazin-1-yl)carbonyl-phthalazin-1-one Openeye Name: 2-ethyl-4-(4-pyridin-1-ium-2-ylpiperazine-1-carbonyl)phthalazin-1-one CAS Name: 2-ethyl-4-[oxo-[4-(2-pyridin-1-iumyl)-1-piperazinyl]methyl]-1-phthalazinone IUPAC Name: 2-ethyl-4-(4-pyridin-1-ium-2-ylpiperazine-1-carbonyl)phthalazin-1-one Traditional Name: 2-ethyl-4-(4-pyridin-1-ium-2-ylpiperazine-1-carbonyl)phthalazin-1-one Formula: C20H22N5O2+ MolecularWeight: 364.42098

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)N3CCN(CC3)C4=CC=CC=[NH+]4

Isomeric SMILES

CCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)N3CCN(CC3)C4=CC=CC=[NH+]4

InChI

InChI=1S/C20H21N5O2/c1-2-25-19(26)16-8-4-3-7-15(16)18(22-25)20(27)24-13-11-23(12-14-24)17-9-5-6-10-21-17/h3-10H,2,11-14H2,1H3/p+1