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

Systemtic Name: 4-oxidanylidene-3-[2-oxidanylidene-2-[[(3S)-1-(phenylmethyl)pyrrolidin-1-ium-3-yl]amino]ethyl]phthalazin-1-olate Openeye Name: 3-[2-[[(3S)-1-benzylpyrrolidin-1-ium-3-yl]amino]-2-oxo-ethyl]-4-oxo-phthalazin-1-olate CAS Name: 4-oxo-3-[2-oxo-2-[[(3S)-1-(phenylmethyl)-3-pyrrolidin-1-iumyl]amino]ethyl]-1-phthalazinolate IUPAC Name: 3-[2-[[(3S)-1-benzylpyrrolidin-1-ium-3-yl]amino]-2-oxoethyl]-4-oxophthalazin-1-olate Traditional Name: 3-[2-[[(3S)-1-benzylpyrrolidin-1-ium-3-yl]amino]-2-keto-ethyl]-4-keto-phthalazin-1-olate Formula: C21H22N4O3 MolecularWeight: 378.42438

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CC1NC(=O)CN2C(=O)C3=CC=CC=C3C(=N2)[O-])CC4=CC=CC=C4

Isomeric SMILES

C1C[NH+](C[C@H]1NC(=O)CN2C(=O)C3=CC=CC=C3C(=N2)[O-])CC4=CC=CC=C4

InChI

InChI=1S/C21H22N4O3/c26-19(14-25-21(28)18-9-5-4-8-17(18)20(27)23-25)22-16-10-11-24(13-16)12-15-6-2-1-3-7-15/h1-9,16H,10-14H2,(H,22,26)(H,23,27)/t16-/m0/s1