[(3R)-3-cyano-5-(3-hexyl-4-oxidanylidene-phthalazin-1-yl)carbonyloxy-4-oxidanylidene-pent-1-en-2-yl]azanium

Systemtic Name: [(3R)-3-cyano-5-(3-hexyl-4-oxidanylidene-phthalazin-1-yl)carbonyloxy-4-oxidanylidene-pent-1-en-2-yl]azanium Openeye Name: [(2R)-2-cyano-4-(3-hexyl-4-oxo-phthalazine-1-carbonyl)oxy-1-methylene-3-oxo-butyl]ammonium CAS Name: [(3R)-3-cyano-5-[(3-hexyl-4-oxo-1-phthalazinyl)-oxomethoxy]-4-oxopent-1-en-2-yl]ammonium IUPAC Name: [(3R)-3-cyano-5-(3-hexyl-4-oxophthalazine-1-carbonyl)oxy-4-oxopent-1-en-2-yl]azanium Traditional Name: 1-[(1R)-1-cyano-3-(3-hexyl-4-keto-phthalazine-1-carbonyl)oxy-2-keto-propyl]vinylammonium Formula: C21H25N4O4+ MolecularWeight: 397.4476

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)OCC(=O)C(C#N)C(=C)[NH3+]

Isomeric SMILES

CCCCCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)OCC(=O)[C@@H](C#N)C(=C)[NH3+]

InChI

InChI=1S/C21H24N4O4/c1-3-4-5-8-11-25-20(27)16-10-7-6-9-15(16)19(24-25)21(28)29-13-18(26)17(12-22)14(2)23/h6-7,9-10,17H,2-5,8,11,13,23H2,1H3/p+1/t17-/m0/s1