2-(4-ethylpiperazin-4-ium-1-yl)-2-oxidanylidene-N-[(4-oxidanylidene-3H-phthalazin-1-yl)methyl]ethanamide

Systemtic Name: 2-(4-ethylpiperazin-4-ium-1-yl)-2-oxidanylidene-N-[(4-oxidanylidene-3H-phthalazin-1-yl)methyl]ethanamide Openeye Name: 2-(4-ethylpiperazin-4-ium-1-yl)-2-oxo-N-[(4-oxo-3H-phthalazin-1-yl)methyl]acetamide CAS Name: 2-(4-ethyl-1-piperazin-4-iumyl)-2-oxo-N-[(4-oxo-3H-phthalazin-1-yl)methyl]acetamide IUPAC Name: 2-(4-ethylpiperazin-4-ium-1-yl)-2-oxo-N-[(4-oxo-3H-phthalazin-1-yl)methyl]acetamide Traditional Name: 2-(4-ethylpiperazin-4-ium-1-yl)-2-keto-N-[(4-keto-3H-phthalazin-1-yl)methyl]acetamide Formula: C17H22N5O3+ MolecularWeight: 344.38828

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+]1CCN(CC1)C(=O)C(=O)NCC2=NNC(=O)C3=CC=CC=C32

Isomeric SMILES

CC[NH+]1CCN(CC1)C(=O)C(=O)NCC2=NNC(=O)C3=CC=CC=C32

InChI

InChI=1S/C17H21N5O3/c1-2-21-7-9-22(10-8-21)17(25)16(24)18-11-14-12-5-3-4-6-13(12)15(23)20-19-14/h3-6H,2,7-11H2,1H3,(H,18,24)(H,20,23)/p+1