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

Systemtic Name: 2-[1,4-bis(oxidanylidene)-3H-phthalazin-2-yl]ethyl-[(3S)-8-methoxy-3,4-dihydro-2H-chromen-3-yl]azanium Openeye Name: 2-(1,4-dioxo-3H-phthalazin-2-yl)ethyl-[(3S)-8-methoxychroman-3-yl]ammonium CAS Name: 2-(1,4-dioxo-3H-phthalazin-2-yl)ethyl-[(3S)-8-methoxy-3,4-dihydro-2H-1-benzopyran-3-yl]ammonium IUPAC Name: 2-(1,4-dioxo-3H-phthalazin-2-yl)ethyl-[(3S)-8-methoxy-3,4-dihydro-2H-chromen-3-yl]azanium Traditional Name: 2-(1,4-diketo-3H-phthalazin-2-yl)ethyl-[(3S)-8-methoxychroman-3-yl]ammonium Formula: C20H22N3O4+ MolecularWeight: 368.40638

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

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)/p+1/t14-/m0/s1