3-[2-[[(3S)-8-methoxy-3,4-dihydro-2H-chromen-3-yl]azaniumyl]ethyl]-4-oxidanylidene-phthalazin-1-olate

Systemtic Name: 3-[2-[[(3S)-8-methoxy-3,4-dihydro-2H-chromen-3-yl]azaniumyl]ethyl]-4-oxidanylidene-phthalazin-1-olate Openeye Name: 3-[2-[[(3S)-8-methoxychroman-3-yl]ammonio]ethyl]-4-oxo-phthalazin-1-olate CAS Name: 3-[2-[[(3S)-8-methoxy-3,4-dihydro-2H-1-benzopyran-3-yl]ammonio]ethyl]-4-oxo-1-phthalazinolate IUPAC Name: 3-[2-[[(3S)-8-methoxy-3,4-dihydro-2H-chromen-3-yl]azaniumyl]ethyl]-4-oxophthalazin-1-olate Traditional Name: 4-keto-3-[2-[[(3S)-8-methoxychroman-3-yl]ammonio]ethyl]phthalazin-1-olate Formula: C20H21N3O4 MolecularWeight: 367.39844

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC2=C1OCC(C2)[NH2+]CCN3C(=O)C4=CC=CC=C4C(=N3)[O-]

Isomeric SMILES

COC1=CC=CC2=C1OC[C@H](C2)[NH2+]CCN3C(=O)C4=CC=CC=C4C(=N3)[O-]

InChI

InChI=1S/C20H21N3O4/c1-26-17-8-4-5-13-11-14(12-27-18(13)17)21-9-10-23-20(25)16-7-3-2-6-15(16)19(24)22-23/h2-8,14,21H,9-12H2,1H3,(H,22,24)/t14-/m0/s1