2-[4-[(4-oxidanylidene-3H-phthalazin-1-yl)carbonyl]piperazin-1-ium-1-yl]-N-propyl-ethanamide

Systemtic Name: 2-[4-[(4-oxidanylidene-3H-phthalazin-1-yl)carbonyl]piperazin-1-ium-1-yl]-N-propyl-ethanamide Openeye Name: 2-[4-(4-oxo-3H-phthalazine-1-carbonyl)piperazin-1-ium-1-yl]-N-propyl-acetamide CAS Name: 2-[4-[oxo-(4-oxo-3H-phthalazin-1-yl)methyl]-1-piperazin-1-iumyl]-N-propylacetamide IUPAC Name: 2-[4-(4-oxo-3H-phthalazine-1-carbonyl)piperazin-1-ium-1-yl]-N-propylacetamide Traditional Name: 2-[4-(4-keto-3H-phthalazine-1-carbonyl)piperazin-1-ium-1-yl]-N-propyl-acetamide Formula: C18H24N5O3+ MolecularWeight: 358.41486

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Descriptors Computed from Structure

Canonical SMILES:

CCCNC(=O)C[NH+]1CCN(CC1)C(=O)C2=NNC(=O)C3=CC=CC=C32

Isomeric SMILES

CCCNC(=O)C[NH+]1CCN(CC1)C(=O)C2=NNC(=O)C3=CC=CC=C32

InChI

InChI=1S/C18H23N5O3/c1-2-7-19-15(24)12-22-8-10-23(11-9-22)18(26)16-13-5-3-4-6-14(13)17(25)21-20-16/h3-6H,2,7-12H2,1H3,(H,19,24)(H,21,25)/p+1