3-[2-[[(2S)-2-(furan-2-yl)-2-pyrrolidin-1-ium-1-yl-ethyl]amino]-2-oxidanylidene-ethyl]-4-oxidanylidene-phthalazin-1-olate

Systemtic Name: 3-[2-[[(2S)-2-(furan-2-yl)-2-pyrrolidin-1-ium-1-yl-ethyl]amino]-2-oxidanylidene-ethyl]-4-oxidanylidene-phthalazin-1-olate Openeye Name: 3-[2-[[(2S)-2-(2-furyl)-2-pyrrolidin-1-ium-1-yl-ethyl]amino]-2-oxo-ethyl]-4-oxo-phthalazin-1-olate CAS Name: 3-[2-[[(2S)-2-(2-furanyl)-2-(1-pyrrolidin-1-iumyl)ethyl]amino]-2-oxoethyl]-4-oxo-1-phthalazinolate IUPAC Name: 3-[2-[[(2S)-2-(furan-2-yl)-2-pyrrolidin-1-ium-1-ylethyl]amino]-2-oxoethyl]-4-oxophthalazin-1-olate Traditional Name: 3-[2-[[(2S)-2-(2-furyl)-2-pyrrolidin-1-ium-1-yl-ethyl]amino]-2-keto-ethyl]-4-keto-phthalazin-1-olate Formula: C20H22N4O4 MolecularWeight: 382.41308

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](C1)C(CNC(=O)CN2C(=O)C3=CC=CC=C3C(=N2)[O-])C4=CC=CO4

Isomeric SMILES

C1CC[NH+](C1)[C@@H](CNC(=O)CN2C(=O)C3=CC=CC=C3C(=N2)[O-])C4=CC=CO4

InChI

InChI=1S/C20H22N4O4/c25-18(13-24-20(27)15-7-2-1-6-14(15)19(26)22-24)21-12-16(17-8-5-11-28-17)23-9-3-4-10-23/h1-2,5-8,11,16H,3-4,9-10,12-13H2,(H,21,25)(H,22,26)/t16-/m0/s1